ChemSpider 2D Image | N-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide | C22H18FN7O

N-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC22H18FN7O
  • Average mass415.423 Da
  • Monoisotopic mass415.155701 Da
  • ChemSpider ID68017652

More details:






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

1H-Pyrazole-4-carboxamide, N-(1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-fluorophenyl)-5-(1H-pyrrol-1-yl)- [ACD/Index Name]
N-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-(1,3-Diméthyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-fluorophényl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-(1,3-Dimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-fluorphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 572.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.3±30.1 °C
Index of Refraction: 1.717
Molar Refractivity: 115.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 46.13
ACD/KOC (pH 5.5): 505.95
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 8.84
ACD/KOC (pH 7.4): 96.98
Polar Surface Area: 83 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 293.6±7.0 cm3

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