ChemSpider 2D Image | 4-{8-Amino-3-[(2S)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-[(~2~H_4_)-2-pyridinyl]benzamide | C26H19D4N7O2

4-{8-Amino-3-[(2S)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-[(2H4)-2-pyridinyl]benzamide

  • Molecular FormulaC26H19D4N7O2
  • Average mass469.531 Da
  • Monoisotopic mass469.216431 Da
  • ChemSpider ID113612253

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

4-{8-Amino-3-[(2S)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-[(2H4)-2-pyridinyl]benzamid [German] [ACD/IUPAC Name]
4-{8-Amino-3-[(2S)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-[(2H4)-2-pyridinyl]benzamide [ACD/IUPAC Name]
4-{8-Amino-3-[(2S)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-[(2H4)-2-pyridinyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-pyridinyl-d4)- [ACD/Index Name]
2699608-18-7 [RN]
Acalabrutinib-d4

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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