ChemSpider 2D Image | 3-{4-(5-Chloro-3-pyridinyl)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pyrrolidinyl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazol-5(4H)-one | C30H33ClN8O3

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

  • Molecular FormulaC30H33ClN8O3
  • Average mass589.088 Da
  • Monoisotopic mass588.236389 Da
  • ChemSpider ID58900006

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1,2,4-Oxadiazol-5(4H)-one, 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3,5-dimethyl-4-isoxazolyl)-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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pyrrolidinyl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazol-5(4H)-on [German] [ACD/IUPAC Name]
3-{4-(5-Chloro-3-pyridinyl)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-pyrrolidinyl]-3-[(trans-4-methylcyclohexyl)methyl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazol-5(4H)-one [ACD/IUPAC Name]
3-{4-(5-Chloro-3-pyridinyl)-2-[2-(3,5-diméthyl-1,2-oxazol-4-yl)-1-pyrrolidinyl]-3-[(trans-4-méthylcyclohexyl)méthyl]-3H-imidazo[4,5-c]pyridin-6-yl}-1,2,4-oxadiazol-5(4H)-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: 1.759
Molar Refractivity: 156.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 42.63
ACD/KOC (pH 5.5): 212.26
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 9.84
ACD/KOC (pH 7.4): 48.99
Polar Surface Area: 124 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 381.8±7.0 cm3

Click to predict properties on the Chemicalize site


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