ChemSpider 2D Image | N-(3-{[1-(4-Methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide | C26H20F3N7O2

N-(3-{[1-(4-Methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide

  • Molecular FormulaC26H20F3N7O2
  • Average mass519.478 Da
  • Monoisotopic mass519.163086 Da
  • ChemSpider ID20578173

More details:

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

4-Pyridinecarboxamide, N-[3-[[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]-2-(trifluoromethyl)- [ACD/Index Name]
N-(3-{[1-(4-Methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-4-methylphenyl)-2-(trifluormethyl)isonicotinamid [German] [ACD/IUPAC Name]
N-(3-{[1-(4-Methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide [ACD/IUPAC Name]
N-(3-{[1-(4-Méthoxyphényl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-4-méthylphényl)-2-(trifluorométhyl)isonicotinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 298.8±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 936.26
ACD/KOC (pH 5.5): 4649.58
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 944.42
ACD/KOC (pH 7.4): 4690.12
Polar Surface Area: 107 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 363.1±7.0 cm3

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