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

N-[4-(2-Amino-2-oxoethyl)phenyl]-1-(3-fluorobenzyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

  • Molecular FormulaC28H22FN5O2
  • Average mass479.505 Da
  • Monoisotopic mass479.175751 Da
  • ChemSpider ID33685882

More details:

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

1H-Pyrazolo[3,4-b]pyridine-4-carboxamide, N-[4-(2-amino-2-oxoethyl)phenyl]-1-[(3-fluorophenyl)methyl]-6-phenyl- [ACD/Index Name]
N-[4-(2-Amino-2-oxoethyl)phenyl]-1-(3-fluorbenzyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridin-4-carboxamid [German] [ACD/IUPAC Name]
N-[4-(2-Amino-2-oxoethyl)phenyl]-1-(3-fluorobenzyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide [ACD/IUPAC Name]
N-[4-(2-Amino-2-oxoéthyl)phényl]-1-(3-fluorobenzyl)-6-phényl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide [French] [ACD/IUPAC 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: 701.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.0±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.71
ACD/KOC (pH 5.5): 1667.70
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.68
ACD/KOC (pH 7.4): 1667.43
Polar Surface Area: 103 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 359.4±7.0 cm3

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