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

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

  • Molecular FormulaC26H26FN7O2
  • Average mass487.529 Da
  • Monoisotopic mass487.213196 Da
  • ChemSpider ID39324426

More details:






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

3-Pyrrolidinecarboxamide, N-[2-[4-[[(4-fluorophenyl)methyl]amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-(3-methylphenyl)-5-oxo- [ACD/Index Name]
N-(2-{4-[(4-Fluorbenzyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)-1-(3-methylphenyl)-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-(2-{4-[(4-Fluorobenzyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)-1-(3-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-(2-{4-[(4-Fluorobenzyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}éthyl)-1-(3-méthylphényl)-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-(2-(4-((4-fluorobenzyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-5-oxo-1-(m-tolyl)pyrrolidine-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 826.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.8±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 134.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.71
ACD/KOC (pH 5.5): 574.71
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.79
ACD/KOC (pH 7.4): 587.03
Polar Surface Area: 105 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 349.7±7.0 cm3

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