ChemSpider 2D Image | 4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}-N-[6-cyclobutyl-4-(trifluoromethyl)-2-pyridinyl]benzamide | C31H30F3N7O2

4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}-N-[6-cyclobutyl-4-(trifluoromethyl)-2-pyridinyl]benzamide

  • Molecular FormulaC31H30F3N7O2
  • Average mass589.611 Da
  • Monoisotopic mass589.241333 Da
  • ChemSpider ID76796792

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}-N-[6-cyclobutyl-4-(trifluormethyl)-2-pyridinyl]benzamid [German] [ACD/IUPAC Name]
4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}-N-[6-cyclobutyl-4-(trifluoromethyl)-2-pyridinyl]benzamide [ACD/IUPAC Name]
4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}-N-[6-cyclobutyl-4-(trifluorométhyl)-2-pyridinyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[8-amino-3-[(6R,8aS)-octahydro-3-oxo-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl]-N-[6-cyclobutyl-4-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 119.39
ACD/KOC (pH 5.5): 845.41
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 266.70
ACD/KOC (pH 7.4): 1888.56
Polar Surface Area: 119 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 376.8±7.0 cm3

Click to predict properties on the Chemicalize site


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