N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide

  • Description:
  • Formula: C30H34N8O3
  • Molar mass: 554.6 g mol-1
  • InChI Key: RRMJMHOQSALEJJ-UHFFFAOYSA-N
N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide

Identifiers (17)

  • Standard InChI: InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34) (Source: PubChem)
  • IUPAC Name: N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide (Source: PubChem)
  • PubChem CID: 121269225 (Source: PubChem)
  • SMILES String: CN(C)CC1=CN(N=C1C2=CC=CC=C2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCOCC5)OC (Source: PubChem)
  • Connectivity SMILES string: CN(C)CC1=CN(N=C1C2=CC=CC=C2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCOCC5)OC (Source: PubChem)
  • Standard InChIKey: RRMJMHOQSALEJJ-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 1903008-80-9 (Source: PubChem)
  • ChEMBL ID: CHEMBL4558324 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID601376595 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EB09 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Lazertinib (Source: ChEMBL)
  • Connectivity SMILES string: C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC)cc1N1CCOCC1 (Source: ChEMBL)
  • International Nonproprietary Name: Lazertinib (Source: ChEMBL)
  • Preferred Name: LAZERTINIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34) (Source: ChEMBL)
  • Standard InChIKey: RRMJMHOQSALEJJ-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Lazertinib (Source: ChEMBL)

    • Sources: PubChem (9) ChEMBL (8)

    Data (41)

  • Mass parameters: 554.27538698 (Source: PubChem)
  • Surface parameters: 110 (Source: PubChem)
  • Thermodynamic parameters: 3.4 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Surface parameters: 41 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 10 (Source: PubChem)
  • Stuctural analysis: 837 (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: 554.27538698 Da (Source: PubChem)
  • Molecule statistics: 41 (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 837 (Source: PubChem)
  • Stuctural analysis: 430.8 (Source: PubChem)
  • Mass parameters: 554.6 g/mol (Source: PubChem)
  • Mass parameters: 554.27538698 Da (Source: PubChem)
  • Molecule statistics: 10 (Source: PubChem)
  • Surface parameters: 110 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4 (Source: ChEMBL)
  • Thermodynamic parameters: 4.10 (Source: ChEMBL)
  • Molecule statistics: 41 (Source: ChEMBL)
  • Molecule statistics: 10 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 554.66 g/mol (Source: ChEMBL)
  • Mass parameters: 554.66 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.60 (Source: ChEMBL)
  • Molecule statistics: 109.67 (Source: ChEMBL)
  • Molecule statistics: 0.28 (Source: ChEMBL)
  • Molecule statistics: 10 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)

    • Sources: PubChem (29) ChEMBL (12)

    Information (7)

  • Chemical formula: C30H34N8O3 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C30H34N8O3 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: tyrosine kinase inhibitors: epidermal growth factor receptor (EGFR) inhibitors (Source: ChEMBL)
  • USAN STEM: -tinib (Source: ChEMBL)

    • Sources: PubChem (1) ChEMBL (6)