ChemSpider 2D Image | 6-(5-Cyano-6-imino-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-{[(1S,2S)-2-fluorocyclohexyl]amino}-N-[4-(methylcarbamoyl)cyclohexyl]nicotinamide | C27H32FN9O2

6-(5-Cyano-6-imino-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-{[(1S,2S)-2-fluorocyclohexyl]amino}-N-[4-(methylcarbamoyl)cyclohexyl]nicotinamide

  • Molecular FormulaC27H32FN9O2
  • Average mass533.601 Da
  • Monoisotopic mass533.266296 Da
  • ChemSpider ID98655459

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-Pyridinecarboxamide, 6-(5-cyano-6,7-dihydro-6-imino-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-[[(1S,2S)-2-fluorocyclohexyl]amino]-N-[4-[(methylamino)carbonyl]cyclohexyl]- [ACD/Index Name]
6-(5-Cyan-6-imino-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-{[(1S,2S)-2-fluorcyclohexyl]amino}-N-[4-(methylcarbamoyl)cyclohexyl]nicotinamid [German] [ACD/IUPAC Name]
6-(5-Cyano-6-imino-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-{[(1S,2S)-2-fluorocyclohexyl]amino}-N-[4-(methylcarbamoyl)cyclohexyl]nicotinamide [ACD/IUPAC Name]
6-(5-Cyano-6-imino-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-1-yl)-4-{[(1S,2S)-2-fluorocyclohexyl]amino}-N-[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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: 3.55
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 57.38
ACD/KOC (pH 5.5): 586.45
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 74.11
ACD/KOC (pH 7.4): 757.44
Polar Surface Area: 161 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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