6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one

  • Description:
  • Formula: C24H29N7O2
  • Molar mass: 447.5 g mol-1
  • InChI Key: AHJRHEGDXFFMBM-UHFFFAOYSA-N
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one

Identifiers (24)

  • Standard InChI: InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) (Source: PubChem)
  • PubChem CID: 5330286 (Source: PubChem)
  • SMILES String: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C (Source: PubChem)
  • Connectivity SMILES string: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C (Source: PubChem)
  • IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (Source: PubChem)
  • Standard InChIKey: AHJRHEGDXFFMBM-UHFFFAOYSA-N (Source: PubChem)
  • CAS Registry Number: 571190-30-2 (Source: PubChem)
  • ChEBI ID: CHEBI:85993 (Source: PubChem)
  • ChEMBL ID: CHEMBL189963 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID80207212 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID40972590 (Source: PubChem)
  • Wikidata ID: Q15269707 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EF01 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Palbociclib (Source: ChEMBL)
  • British National Formulary: Palbociclib (Source: ChEMBL)
  • Connectivity SMILES string: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O (Source: ChEMBL)
  • European Medicines Agency Name: Palbociclib (Source: ChEMBL)
  • International Nonproprietary Name: Palbociclib (Source: ChEMBL)
  • Japanese Adopted Name: Palbociclib (Source: ChEMBL)
  • Merck Index Name: Palbociclib (Source: ChEMBL)
  • Preferred Name: PALBOCICLIB (Source: ChEMBL)
  • Standard InChI: InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) (Source: ChEMBL)
  • Standard InChIKey: AHJRHEGDXFFMBM-UHFFFAOYSA-N (Source: ChEMBL)
  • US Adopted Name: Palbociclib (Source: ChEMBL)

    • Sources: PubChem (12) ChEMBL (12)

    Data (38)

  • Thermodynamic parameters: 1.8 (Source: PubChem)
  • Surface parameters: 33 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Stuctural analysis: 775 (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 103 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 1.8 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 447.23827319 Da (Source: PubChem)
  • Molecule statistics: 33 (Source: PubChem)
  • Molecule statistics: 8 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 775 (Source: PubChem)
  • Stuctural analysis: 340.7 (Source: PubChem)
  • Mass parameters: 447.5 g/mol (Source: PubChem)
  • Mass parameters: 447.23827319 Da (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 103 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3 (Source: ChEMBL)
  • Thermodynamic parameters: 2.97 (Source: ChEMBL)
  • Molecule statistics: 33 (Source: ChEMBL)
  • Molecule statistics: 9 (Source: ChEMBL)
  • Molecule statistics: 2 (Source: ChEMBL)
  • Mass parameters: 447.54 g/mol (Source: ChEMBL)
  • Mass parameters: 447.54 g/mol (Source: ChEMBL)
  • Molecule statistics: -1.06 (Source: ChEMBL)
  • Molecule statistics: 105.04 (Source: ChEMBL)
  • Molecule statistics: 0.58 (Source: ChEMBL)
  • Molecule statistics: 5 (Source: ChEMBL)

    • Sources: PubChem (27) ChEMBL (11)

    Information (8)

  • Chemical formula: C24H29N7O2 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C24H29N7O2 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Natural product: 1 (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: PubChem (1) ChEMBL (7)