ChemSpider 2D Image | 4-Chloro-N-(2-chlorobenzyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | C21H15Cl2FN4O

4-Chloro-N-(2-chlorobenzyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

  • Molecular FormulaC21H15Cl2FN4O
  • Average mass429.274 Da
  • Monoisotopic mass428.060699 Da
  • ChemSpider ID21928851

More details:

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

1H-Pyrazolo[3,4-b]pyridine-5-carboxamide, 4-chloro-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-3-methyl- [ACD/Index Name]
4-Chlor-N-(2-chlorbenzyl)-1-(4-fluorphenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-5-carboxamid [German] [ACD/IUPAC Name]
4-Chloro-N-(2-chlorobenzyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide [ACD/IUPAC Name]
4-Chloro-N-(2-chlorobenzyl)-1-(4-fluorophényl)-3-méthyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide [French] [ACD/IUPAC Name]
1021025-13-7 [RN]
4-chloro-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 560.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.672
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2603.52
ACD/KOC (pH 5.5): 9692.79
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2602.40
ACD/KOC (pH 7.4): 9688.60
Polar Surface Area: 60 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 299.3±7.0 cm3

Click to predict properties on the Chemicalize site


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