ChemSpider 2D Image | 3-({4-[1-(2,2-Difluoroethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-4-yl]-2-pyrimidinyl}amino)propanenitrile | C19H16F2N8

3-({4-[1-(2,2-Difluoroethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-4-yl]-2-pyrimidinyl}amino)propanenitrile

  • Molecular FormulaC19H16F2N8
  • Average mass394.381 Da
  • Monoisotopic mass394.146606 Da
  • ChemSpider ID29315020

More details:

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

3-({4-[1-(2,2-Difluorethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-4-yl]-2-pyrimidinyl}amino)propannitril [German] [ACD/IUPAC Name]
3-({4-[1-(2,2-Difluoroethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-4-yl]-2-pyrimidinyl}amino)propanenitrile [ACD/IUPAC Name]
3-({4-[1-(2,2-Difluoroéthyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-4-yl]-2-pyrimidinyl}amino)propanenitrile [French] [ACD/IUPAC Name]
Propanenitrile, 3-[[4-[1-(2,2-difluoroethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]- [ACD/Index Name]
1111636-35-1 [RN]
3-[[4-[1-(2,2-Difluoroethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]
3-[[4-[1-(2,2-difluoroethyl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propanenitrile
PF-04880594

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

Density: 1.5±0.1 g/cm3
Boiling Point: 666.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.8±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.52
ACD/KOC (pH 5.5): 258.91
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.56
ACD/KOC (pH 7.4): 259.59
Polar Surface Area: 108 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 265.9±7.0 cm3

Click to predict properties on the Chemicalize site


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