ChemSpider 2D Image | 1-(3-Fluorobenzyl)-N-[4-(methylcarbamoyl)phenyl]-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide | C28H22FN5O2

1-(3-Fluorobenzyl)-N-[4-(methylcarbamoyl)phenyl]-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

  • Molecular FormulaC28H22FN5O2
  • Average mass479.505 Da
  • Monoisotopic mass479.175751 Da
  • ChemSpider ID24087345

More details:

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

1-(3-Fluorbenzyl)-N-[4-(methylcarbamoyl)phenyl]-6-phenyl-1H-pyrazolo[3,4-b]pyridin-4-carboxamid [German] [ACD/IUPAC Name]
1-(3-Fluorobenzyl)-N-[4-(methylcarbamoyl)phenyl]-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide [ACD/IUPAC Name]
1-(3-Fluorobenzyl)-N-[4-(méthylcarbamoyl)phényl]-6-phényl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-4-carboxamide, 1-[(3-fluorophenyl)methyl]-N-[4-[(methylamino)carbonyl]phenyl]-6-phenyl- [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: 679.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.9±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 331.47
ACD/KOC (pH 5.5): 2216.86
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 331.33
ACD/KOC (pH 7.4): 2215.89
Polar Surface Area: 89 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 366.4±7.0 cm3

Click to predict properties on the Chemicalize site


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