4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

  • Description:
  • Formula: C29H31N7O
  • Molar mass: 493.6 g mol-1
  • InChI Key: KTUFNOKKBVMGRW-UHFFFAOYSA-N
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Identifiers (12)

  • Standard InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) (Source: PubChem)
  • IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (Source: PubChem)
  • PubChem CID: 5291 (Source: PubChem)
  • SMILES String: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 (Source: PubChem)
  • CAS Registry Number: 152459-95-5' (Source: PubChem)
  • Connectivity SMILES string: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 (Source: PubChem)
  • Standard InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N (Source: PubChem)
  • ChEBI ID: CHEBI:45783 (Source: PubChem)
  • ChEMBL ID: CHEMBL941 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID1017125 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID3037125 (Source: PubChem)
  • Wikidata ID: Q177094 (Source: PubChem)

    • Sources: PubChem (12)

    Data (27)

  • Thermodynamic parameters: 3.5 (Source: PubChem)
  • Surface parameters: 37 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Stuctural analysis: 706 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Surface parameters: 86.3 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3.5 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 493.25900864 Da (Source: PubChem)
  • Molecule statistics: 37 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 706 (Source: PubChem)
  • Stuctural analysis: 390.1 (Source: PubChem)
  • Mass parameters: 493.6 g/mol (Source: PubChem)
  • Mass parameters: 493.25900864 Da (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Surface parameters: 86.3 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)

    • Sources: PubChem (27)

    Information (1)

  • Chemical formula: C29H31N7O (Source: PubChem)

    • Sources: PubChem (1)