ChemSpider 2D Image | 6-(5-Cyano-1H-pyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-{[(6-methyl-3-pyridinyl)methyl]amino}nicotinamide | C26H26FN7O2

6-(5-Cyano-1H-pyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-{[(6-methyl-3-pyridinyl)methyl]amino}nicotinamide

  • Molecular FormulaC26H26FN7O2
  • Average mass487.529 Da
  • Monoisotopic mass487.213196 Da
  • ChemSpider ID76797559

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridinecarboxamide, 6-(5-cyano-1H-pyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(6-methyl-3-pyridinyl)methyl]amino]- [ACD/Index Name]
6-(5-Cyan-1H-pyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluor-3-hydroxy-3-methylbutyl]-4-{[(6-methyl-3-pyridinyl)methyl]amino}nicotinamid [German] [ACD/IUPAC Name]
6-(5-Cyano-1H-pyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-{[(6-methyl-3-pyridinyl)methyl]amino}nicotinamide [ACD/IUPAC Name]
6-(5-Cyano-1H-pyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-méthylbutyl]-4-{[(6-méthyl-3-pyridinyl)méthyl]amino}nicotinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 702.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.7±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 134.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 16.62
ACD/KOC (pH 5.5): 213.35
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.00
ACD/KOC (pH 7.4): 423.64
Polar Surface Area: 129 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 367.9±7.0 cm3

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