(7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

  • Description:
  • Formula: C27H29N5O3
  • Molar mass: 471.5 g mol-1
  • InChI Key: RNOAOAWBMHREKO-QFIPXVFZSA-N
(7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Identifiers (12)

  • Standard InChI: InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1 (Source: PubChem)
  • IUPAC Name: (7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (Source: PubChem)
  • PubChem CID: 135565884 (Source: PubChem)
  • SMILES String: C=CC(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N (Source: PubChem)
  • ChEMBL ID: CHEMBL3936761 (Source: ChEMBL)
  • Drug Name: zanubrutinib (Source: ChEMBL)
  • CAS Registry Number: 1691249-45-2 (Source: PubChem)
  • Connectivity SMILES string: C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N (Source: PubChem)
  • Standard InChIKey: RNOAOAWBMHREKO-QFIPXVFZSA-N (Source: PubChem)
  • ChEMBL ID: CHEMBL3936761 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID701510461 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID701026208 (Source: PubChem)

    • Sources: PubChem (10) ChEMBL (2)

    Data (30)

  • Mass parameters: 471.2270398 (Source: PubChem)
  • Surface parameters: 102 (Source: PubChem)
  • Thermodynamic parameters: 3.5 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Surface parameters: 35 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Stuctural analysis: 756 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 3.5 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Mass parameters: 471.22703980 Da (Source: PubChem)
  • Molecule statistics: 35 (Source: PubChem)
  • Molecule statistics: 5 (Source: PubChem)
  • Molecule statistics: 2 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 756 (Source: PubChem)
  • Stuctural analysis: 364.3 (Source: PubChem)
  • Mass parameters: 471.5 g/mol (Source: PubChem)
  • Mass parameters: 471.22703980 Da (Source: PubChem)
  • Molecule statistics: 6 (Source: PubChem)
  • Surface parameters: 102 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)

    • Sources: PubChem (30)

    Information (1)

  • Chemical formula: C27H29N5O3 (Source: PubChem)

    • Sources: PubChem (1)