ChemSpider 2D Image | N~2~-[2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]-N-(2,2,2-trifluoroethyl)-L-isovalinamide | C18H19F3N6O

N2-[2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]-N-(2,2,2-trifluoroethyl)-L-isovalinamide

  • Molecular FormulaC18H19F3N6O
  • Average mass392.378 Da
  • Monoisotopic mass392.157257 Da
  • ChemSpider ID68897748
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Butanamide, 2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino]-N-(2,2,2-trifluoroethyl)-, (2S)- [ACD/Index Name]
N2-[2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]-N-(2,2,2-trifluorethyl)-L-isovalinamid [German] [ACD/IUPAC Name]
N2-[2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]-N-(2,2,2-trifluoroethyl)-L-isovalinamide [ACD/IUPAC Name]
N2-[2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]-N-(2,2,2-trifluoroéthyl)-L-isovalinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 553.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 38.77
ACD/KOC (pH 5.5): 449.53
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.67
ACD/KOC (pH 7.4): 552.72
Polar Surface Area: 96 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 287.7±3.0 cm3

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