ChemSpider 2D Image | 3-(trans-4-{2-[(1R)-1-Hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile | C19H23N5O

3-(trans-4-{2-[(1R)-1-Hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile

  • Molecular FormulaC19H23N5O
  • Average mass337.419 Da
  • Monoisotopic mass337.190247 Da
  • ChemSpider ID30827439

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-(trans-4-{2-[(1R)-1-Hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile [ACD/IUPAC Name]
3-(trans-4-{2-[(1R)-1-Hydroxyéthyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile [French] [ACD/IUPAC Name]
3-(trans-4-{2-[(1R)-1-Hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propannitril [German] [ACD/IUPAC Name]
Cyclohexanepropanenitrile, 4-[2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl]-, trans- [ACD/Index Name]
15T

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

Density: 1.4±0.1 g/cm3
Boiling Point: 644.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.3±28.7 °C
Index of Refraction: 1.719
Molar Refractivity: 95.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 20.19
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 36.76
ACD/KOC (pH 7.4): 418.98
Polar Surface Area: 91 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 242.5±7.0 cm3

Click to predict properties on the Chemicalize site


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