ChemSpider 2D Image | 3-{[3-(2-Cyano-2-propanyl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide | C25H20F2N6O3

3-{[3-(2-Cyano-2-propanyl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide

  • Molecular FormulaC25H20F2N6O3
  • Average mass490.461 Da
  • Monoisotopic mass490.156494 Da
  • ChemSpider ID28667421

More details:






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

3-{[3-(2-Cyan-2-propanyl)benzoyl]amino}-2,6-difluor-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamid [German] [ACD/IUPAC Name]
3-{[3-(2-Cyano-2-propanyl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide [ACD/IUPAC Name]
3-{[3-(2-Cyano-2-propanyl)benzoyl]amino}-2,6-difluoro-N-(3-méthoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide [French] [ACD/IUPAC Name]
3-{[3-(2-Cyanopropan-2-Yl)benzoyl]amino}-2,6-Difluoro-N-(3-Methoxy-2h-Pyrazolo[3,4-B]pyridin-5-Yl)benzamide
Benzamide, 3-[[3-(1-cyano-1-methylethyl)benzoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)- [ACD/Index Name]
0WP

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.2±30.1 °C
Index of Refraction: 1.686
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.18
ACD/KOC (pH 5.5): 1227.08
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 131.86
ACD/KOC (pH 7.4): 1114.51
Polar Surface Area: 133 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 338.6±3.0 cm3

Click to predict properties on the Chemicalize site