ChemSpider 2D Image | 1-(4-Fluorophenyl)-5-oxo-N-(2-{4-[(2-phenylethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)-3-pyrrolidinecarboxamide | C26H26FN7O2

1-(4-Fluorophenyl)-5-oxo-N-(2-{4-[(2-phenylethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)-3-pyrrolidinecarboxamide

  • Molecular FormulaC26H26FN7O2
  • Average mass487.529 Da
  • Monoisotopic mass487.213196 Da
  • ChemSpider ID26305877

More details:

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

1-(4-Fluorophenyl)-5-oxo-N-(2-{4-[(2-phenylethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
1-(4-Fluorophényl)-5-oxo-N-(2-{4-[(2-phényléthyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}éthyl)-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-5-oxo-N-(2-{4-[(2-phenylethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-(4-fluorophenyl)-5-oxo-N-[2-[4-[(2-phenylethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]- [ACD/Index Name]
1-(4-fluorophenyl)-5-oxo-N-(2-(4-(phenethylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)pyrrolidine-3-carboxamide
1-(4-fluorophenyl)-5-oxo-N-(2-{4-[(2-phenylethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)pyrrolidine-3-carboxamide
1-(4-fluorophenyl)-5-oxo-N-[2-[4-(2-phenylethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrrolidine-3-carboxamide
1171090-33-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 839.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 461.6±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 134.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 46.92
ACD/KOC (pH 5.5): 542.66
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.24
ACD/KOC (pH 7.4): 557.85
Polar Surface Area: 105 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 350.6±7.0 cm3

Click to predict properties on the Chemicalize site


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