ChemSpider 2D Image | 3-Cyano-5-hydroxy-N-[1-methyl-4-(trifluoromethyl)-3-{1-[(2R)-2,3,3-trimethylbutanoyl]-4-piperidinyl}-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide | C29H32F3N5O3

3-Cyano-5-hydroxy-N-[1-methyl-4-(trifluoromethyl)-3-{1-[(2R)-2,3,3-trimethylbutanoyl]-4-piperidinyl}-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID129034048

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Cyan-5-hydroxy-N-[1-methyl-4-(trifluormethyl)-3-{1-[(2R)-2,3,3-trimethylbutanoyl]-4-piperidinyl}-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamid [German] [ACD/IUPAC Name]
3-Cyano-5-hydroxy-N-[1-methyl-4-(trifluoromethyl)-3-{1-[(2R)-2,3,3-trimethylbutanoyl]-4-piperidinyl}-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide [ACD/IUPAC Name]
3-Cyano-5-hydroxy-N-[1-méthyl-4-(trifluorométhyl)-3-{1-[(2R)-2,3,3-triméthylbutanoyl]-4-pipéridinyl}-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-cyano-5-hydroxy-N-[1-methyl-4-(trifluoromethyl)-3-[1-[(2R)-2,3,3-trimethyl-1-oxobutyl]-4-piperidinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]- [ACD/Index 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: 680.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 365.5±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 7091.81
ACD/KOC (pH 5.5): 19824.10
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 4782.42
ACD/KOC (pH 7.4): 13368.52
Polar Surface Area: 111 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 419.3±7.0 cm3

Click to predict properties on the Chemicalize site


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