ChemSpider 2D Image | 6-(6-Amino-5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-{[(1S,2S)-2-fluorocyclohexyl]amino}-N-[trans-4-(methylcarbamoyl)cyclohexyl]nicotinamide | C27H32FN9O2

6-(6-Amino-5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-{[(1S,2S)-2-fluorocyclohexyl]amino}-N-[trans-4-(methylcarbamoyl)cyclohexyl]nicotinamide

  • Molecular FormulaC27H32FN9O2
  • Average mass533.601 Da
  • Monoisotopic mass533.266296 Da
  • ChemSpider ID76769176

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-Pyridinecarboxamide, 6-(6-amino-5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-[[(1S,2S)-2-fluorocyclohexyl]amino]-N-[trans-4-[(methylamino)carbonyl]cyclohexyl]- [ACD/Index Name]
6-(6-Amino-5-cyan-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-{[(1S,2S)-2-fluorcyclohexyl]amino}-N-[trans-4-(methylcarbamoyl)cyclohexyl]nicotinamid [German] [ACD/IUPAC Name]
6-(6-Amino-5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-{[(1S,2S)-2-fluorocyclohexyl]amino}-N-[trans-4-(methylcarbamoyl)cyclohexyl]nicotinamide [ACD/IUPAC Name]
6-(6-Amino-5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-{[(1S,2S)-2-fluorocyclohexyl]amino}-N-[trans-4-(méthylcarbamoyl)cyclohexyl]nicotinamide [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: 805.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 440.8±34.3 °C
Index of Refraction: 1.735
Molar Refractivity: 141.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.67
ACD/KOC (pH 5.5): 519.20
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.67
ACD/KOC (pH 7.4): 519.30
Polar Surface Area: 164 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 353.1±7.0 cm3

Click to predict properties on the Chemicalize site


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