3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea

  • Description:
  • Formula: C26H31Cl2N7O3
  • Molar mass: 560.5 g mol-1
  • InChI Key: QADPYRIHXKWUSV-UHFFFAOYSA-N
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea

Identifiers (20)

  • Standard InChI: InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31) (Source: PubChem)
  • IUPAC Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea (Source: PubChem)
  • PubChem CID: 53235510 (Source: PubChem)
  • SMILES String: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl (Source: PubChem)
  • ChEMBL ID: CHEMBL1852688 (Source: PubChem)
  • Connectivity SMILES string: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl (Source: PubChem)
  • Standard InChIKey: QADPYRIHXKWUSV-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 872511-34-7 (Source: PubChem)
  • ChEBI ID: CHEBI:63451 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID70158729 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID70236238 (Source: PubChem)
  • Wikidata ID: Q27075200 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EN03 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Infigratinib (Source: ChEMBL)
  • Connectivity SMILES string: CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1 (Source: ChEMBL)
  • International Nonproprietary Name: Infigratinib (Source: ChEMBL)
  • Preferred Name: INFIGRATINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31) (Source: ChEMBL)
  • Standard InChIKey: QADPYRIHXKWUSV-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Infigratinib (Source: ChEMBL)

    • Sources: PubChem (12) ChEMBL (8)

    Data (32)

  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4.7 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 559.1865433 Da (Source: PubChem)
  • Molecule statistics: 38 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 724 (Source: PubChem)
  • Stuctural analysis: 414 (Source: PubChem)
  • Mass parameters: 560.5 g/mol (Source: PubChem)
  • Mass parameters: 559.1865433 Da (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Surface parameters: 95.1 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3 (Source: ChEMBL)
  • Thermodynamic parameters: 5.35 (Source: ChEMBL)
  • Molecule statistics: 38 (Source: ChEMBL)
  • Molecule statistics: 8 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 560.49 g/mol (Source: ChEMBL)
  • Mass parameters: 560.49 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.26 (Source: ChEMBL)
  • Molecule statistics: 95.09 (Source: ChEMBL)
  • Molecule statistics: 0.38 (Source: ChEMBL)
  • Molecule statistics: 8 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)

    • Sources: PubChem (20) ChEMBL (12)

    Information (8)

  • Chemical formula: C26H31Cl2N7O3 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C26H31Cl2N7O3 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Natural product: 1 (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: tyrosine kinase inhibitors: fibroblast growth factor receptor (FGFR) inhibitors (Source: ChEMBL)
  • USAN STEM: -tinib (Source: ChEMBL)

    • Sources: PubChem (1) ChEMBL (7)