propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate

  • Description:
  • Formula: C32H39N7O4
  • Molar mass: 585.7 g mol-1
  • InChI Key: AZSRSNUQCUDCGG-UHFFFAOYSA-N
propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate

Identifiers (10)

  • Standard InChI: InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36) (Source: PubChem)
  • IUPAC Name: propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate (Source: PubChem)
  • PubChem CID: 118607832 (Source: PubChem)
  • SMILES String: CC(C)OC(=O)C1=CN=C(N=C1C2=CN(C3=CC=CC=C32)C)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC (Source: PubChem)
  • Connectivity SMILES string: CC(C)OC(=O)C1=CN=C(N=C1C2=CN(C3=CC=CC=C32)C)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC (Source: PubChem)
  • Standard InChIKey: AZSRSNUQCUDCGG-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 1847461-43-1 (Source: PubChem)
  • ChEMBL ID: CHEMBL4650319 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID101766995 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID201336749 (Source: PubChem)

    • Sources: PubChem (10)

    Data (29)

  • Mass parameters: 585.30635275 (Source: PubChem)
  • Surface parameters: 114 (Source: PubChem)
  • Thermodynamic parameters: 4.4 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Surface parameters: 43 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 13 (Source: PubChem)
  • Stuctural analysis: 935 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 4.4 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 585.30635275 Da (Source: PubChem)
  • Molecule statistics: 43 (Source: PubChem)
  • Molecule statistics: 9 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 935 (Source: PubChem)
  • Stuctural analysis: 460.3 (Source: PubChem)
  • Mass parameters: 585.7 g/mol (Source: PubChem)
  • Mass parameters: 585.30635275 Da (Source: PubChem)
  • Molecule statistics: 13 (Source: PubChem)
  • Surface parameters: 114 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)

    • Sources: PubChem (29)

    Information (1)

  • Chemical formula: C32H39N7O4 (Source: PubChem)

    • Sources: PubChem (1)