4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one

  • Description:
  • Formula: C24H30N8O
  • Molar mass: 446.5 g mol-1
  • InChI Key: PDGKHKMBHVFCMG-UHFFFAOYSA-N
4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one

Identifiers (15)

  • Standard InChI: InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29) (Source: PubChem)
  • IUPAC Name: 4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one (Source: PubChem)
  • PubChem CID: 68029831 (Source: PubChem)
  • SMILES String: CN1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6 (Source: PubChem)
  • CAS Registry Number: 1374743-00-6 (Source: PubChem)
  • ChEMBL ID: CHEMBL3894860 (Source: ChEMBL)
  • ChEMBL ID: CHEMBL3894860 (Source: PubChem)
  • WHO ATC Classification Drug Code: V03AF12 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Trilaciclib (Source: ChEMBL)
  • Connectivity SMILES string: CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1 (Source: ChEMBL)
  • International Nonproprietary Name: Trilaciclib (Source: ChEMBL)
  • Preferred Name: TRILACICLIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29) (Source: ChEMBL)
  • Standard InChIKey: PDGKHKMBHVFCMG-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Trilaciclib (Source: ChEMBL)

    • Sources: PubChem (6) ChEMBL (9)

    Data (21)

  • Mass parameters: 446.25425761 (Source: PubChem)
  • Surface parameters: 91.2 (Source: PubChem)
  • Thermodynamic parameters: 2.6 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Surface parameters: 33 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 3 (Source: PubChem)
  • Stuctural analysis: 707 (Source: PubChem)
  • Physical properties: Complexity (Source: PubChem)
  • Thermodynamic parameters: 3 (Source: ChEMBL)
  • Thermodynamic parameters: 2.72 (Source: ChEMBL)
  • Molecule statistics: 33 (Source: ChEMBL)
  • Molecule statistics: 8 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 446.56 g/mol (Source: ChEMBL)
  • Mass parameters: 446.56 g/mol (Source: ChEMBL)
  • Molecule statistics: -0.89 (Source: ChEMBL)
  • Molecule statistics: 91.21 (Source: ChEMBL)
  • Molecule statistics: 0.64 (Source: ChEMBL)
  • Molecule statistics: 3 (Source: ChEMBL)

    • Sources: PubChem (10) ChEMBL (11)

    Information (6)

  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C24H30N8O (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: cyclin dependent kinase inhibitors (Source: ChEMBL)
  • USAN STEM: -ciclib (Source: ChEMBL)

    • Sources: ChEMBL (6)