ChemSpider 2D Image | 4-{8-Amino-3-[(2R)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-(2-pyridinyl)benzamide | C26H23N7O2

4-{8-Amino-3-[(2R)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-(2-pyridinyl)benzamide

  • Molecular FormulaC26H23N7O2
  • Average mass465.507 Da
  • Monoisotopic mass465.191315 Da
  • ChemSpider ID59760311

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-{8-Amino-3-[(2R)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-(2-pyridinyl)benzamid [German] [ACD/IUPAC Name]
4-{8-Amino-3-[(2R)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-(2-pyridinyl)benzamide [ACD/IUPAC Name]
4-{8-Amino-3-[(2R)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-(2-pyridinyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[8-amino-3-[(2R)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl- [ACD/Index Name]
(R)-4-(8-Amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide
1420477-60-6 [RN]
1952316-43-6 [RN]
acalabrutinib [INN] [USAN] [Wiki]
ACALABRUTINIB ENANTIOMER
CC#CC(=O)N1CCC[C@@H]1C1=NC(=C2N1C=CN=C2N)C1=CC=C(C=C1)C(=O)NC1=CC=CC=N1
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.715
    Molar Refractivity: 133.2±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.77
    ACD/LogD (pH 5.5): 0.76
    ACD/BCF (pH 5.5): 1.86
    ACD/KOC (pH 5.5): 43.94
    ACD/LogD (pH 7.4): 1.08
    ACD/BCF (pH 7.4): 3.85
    ACD/KOC (pH 7.4): 90.95
    Polar Surface Area: 119 Å2
    Polarizability: 52.8±0.5 10-24cm3
    Surface Tension: 59.8±7.0 dyne/cm
    Molar Volume: 339.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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