ChemSpider 2D Image | 3-{4-(5-Chloro-3-pyridinyl)-2-[(2R,5S)-2,5-dimethyl-1-pyrrolidinyl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazolidin-5-one | C27H34ClN7O2

3-{4-(5-Chloro-3-pyridinyl)-2-[(2R,5S)-2,5-dimethyl-1-pyrrolidinyl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazolidin-5-one

  • Molecular FormulaC27H34ClN7O2
  • Average mass524.058 Da
  • Monoisotopic mass523.246277 Da
  • ChemSpider ID129133358

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1,2,4-Oxadiazolidin-5-one, 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,5S)-2,5-dimethyl-1-pyrrolidinyl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridin-6-yl]- [ACD/Index Name]
3-{4-(5-Chlor-3-pyridinyl)-2-[(2R,5S)-2,5-dimethyl-1-pyrrolidinyl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazolidin-5-on [German] [ACD/IUPAC Name]
3-{4-(5-Chloro-3-pyridinyl)-2-[(2R,5S)-2,5-dimethyl-1-pyrrolidinyl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazolidin-5-one [ACD/IUPAC Name]
3-{4-(5-Chloro-3-pyridinyl)-2-[(2R,5S)-2,5-diméthyl-1-pyrrolidinyl]-3-[(trans-4-méthylcyclohexyl)méthyl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazolidin-5-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 566.12
ACD/KOC (pH 5.5): 2121.83
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2419.59
ACD/KOC (pH 7.4): 9068.71
Polar Surface Area: 97 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 351.1±7.0 cm3

Click to predict properties on the Chemicalize site


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