N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide

  • Description:
  • Formula: C26H23FIN5O4
  • Molar mass: 615.4 g mol-1
  • InChI Key: LIRYPHYGHXZJBZ-UHFFFAOYSA-N
N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide

Identifiers (42)

  • Standard InChI: InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34) (Source: PubChem)
  • PubChem CID: 11707110 (Source: PubChem)
  • SMILES String: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5 (Source: PubChem)
  • ChEMBL ID: CHEMBL2103875 (Source: ChEMBL)
  • Standard InChI: InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34) (Source: ChEMBL)
  • Standard InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N (Source: ChEMBL)
  • IUPAC Name: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide (Source: PubChem)
  • DrugBank ID: DB08911 (Source: DrugBank)
  • CompTox Dashboard Substance ID: 1187431-43-1 (Source: USEPA CompTox Dashboard)
  • Drug Central ID: 4802 (Source: DrugCentral 2023)
  • Standard InChI: InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34) (Source: Wikidata)
  • Standard InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N (Source: Wikidata)
  • CAS Registry Number: 871700-17-3 (Source: Wikidata)
  • PubChem CID: 11707110 (Source: Wikidata)
  • ChEMBL ID: CHEMBL2103875 (Source: Wikidata)
  • SMILES String: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC(=CC=C4)NC(=O)C)C5CC5 (Source: ClinPGx)
  • Standard InChI: InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34) (Source: UniChem)
  • Standard InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N (Source: UniChem)
  • CAS Registry Number: 871700-17-3 (Source: DrugBank)
  • Standard InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N (Source: DrugBank)
  • Standard InChI: InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34) (Source: DrugBank)
  • IUPAC Name: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide (Source: DrugBank)
  • SMILES String: CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=CC=C(I)C=C1F)C1=CC(NC(C)=O)=CC=C1 (Source: DrugBank)
  • Standard InChI: InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34) (Source: DrugCentral 2023)
  • SMILES String: CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=C(F)C=C(I)C=C1)C1=CC(NC(C)=O)=CC=C1 (Source: DrugCentral 2023)
  • CAS Registry Number: 871700-17-3 (Source: DrugCentral 2023)
  • Standard InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N (Source: USFDA Purple Book)
  • CAS Registry Number: 871700-17-3 (Source: PubChem)
  • Connectivity SMILES string: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5 (Source: PubChem)
  • Standard InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N (Source: PubChem)
  • ChEBI ID: CHEBI:75998 (Source: PubChem)
  • ChEMBL ID: CHEMBL2103875 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID901007381 (Source: PubChem)
  • Wikidata ID: Q7833138 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EE01 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Trametinib (Source: ChEMBL)
  • British National Formulary: Trametinib (Source: ChEMBL)
  • Connectivity SMILES string: CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1 (Source: ChEMBL)
  • International Nonproprietary Name: Trametinib (Source: ChEMBL)
  • Merck Index Name: Trametinib (Source: ChEMBL)
  • Preferred Name: TRAMETINIB (Source: ChEMBL)
  • US Adopted Name: Trametinib (Source: ChEMBL)

    • Sources: PubChem (11) ChEMBL (11) DrugBank (6) USEPA CompTox Dashboard (1) DrugCentral 2023 (4) Wikidata (5) ClinPGx (1) UniChem (2) USFDA Purple Book (1)

    Data (45)

  • Thermodynamic parameters: 3.4 (Source: PubChem)
  • Surface parameters: 37 (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Stuctural analysis: 1090 (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 102 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 615.07788 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3.4 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 615.07788 Da (Source: PubChem)
  • Molecule statistics: 37 (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 1090 (Source: PubChem)
  • Stuctural analysis: 400.4 (Source: PubChem)
  • Mass parameters: 615.4 g/mol (Source: PubChem)
  • Mass parameters: 615.07788 Da (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 102 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 615.4 (Source: ChEMBL)
  • Thermodynamic parameters: 4.4 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: ChEMBL)
  • Thermodynamic parameters: 3.94 (Source: ChEMBL)
  • Molecule statistics: 37 (Source: ChEMBL)
  • Molecule statistics: 8 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 615.40 g/mol (Source: ChEMBL)
  • Mass parameters: 615.40 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.57 (Source: ChEMBL)
  • Molecule statistics: 107.13 (Source: ChEMBL)
  • Molecule statistics: 0.33 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)

    • Sources: PubChem (32) ChEMBL (13)

    Information (7)

  • Chemical formula: C26H23FIN5O4 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C26H23FIN5O4 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: tyrosine kinase inhibitors: tyrosine kinase inhibitors; MEK (MAPK kinase) inhibitors (Source: ChEMBL)
  • USAN STEM: -tinib (Source: ChEMBL)

    • Sources: PubChem (1) ChEMBL (6)