ChemSpider 2D Image | 3-[(3R)-3-(Imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(5H)-yl)-1-piperidinyl]-3-oxopropanenitrile | C16H16N6O

3-[(3R)-3-(Imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(5H)-yl)-1-piperidinyl]-3-oxopropanenitrile

  • Molecular FormulaC16H16N6O
  • Average mass308.338 Da
  • Monoisotopic mass308.138550 Da
  • ChemSpider ID28665730
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-Piperidinepropanenitrile, 3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)-β-oxo-, (3R)- [ACD/Index Name]
3-[(3R)-3-(Imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(5H)-yl)-1-piperidinyl]-3-oxopropanenitrile [ACD/IUPAC Name]
3-[(3R)-3-(Imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(5H)-yl)-1-pipéridinyl]-3-oxopropanenitrile [French] [ACD/IUPAC Name]
3-[(3R)-3-(Imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(5H)-yl)-1-piperidinyl]-3-oxopropannitril [German] [ACD/IUPAC Name]
3-[(3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl]-3-Oxopropanenitrile
0NU

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.774
Molar Refractivity: 85.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 68.9±7.0 dyne/cm
Molar Volume: 205.9±7.0 cm3

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