ChemSpider 2D Image | 3-{[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-8-methyl-2-(3-methyl-2-pyridinyl)-1(2H)-isoquinolinone | C28H22FN7O2

3-{[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-8-methyl-2-(3-methyl-2-pyridinyl)-1(2H)-isoquinolinone

  • Molecular FormulaC28H22FN7O2
  • Average mass507.518 Da
  • Monoisotopic mass507.181915 Da
  • ChemSpider ID76815535

More details:

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

1(2H)-Isoquinolinone, 3-[[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(3-methyl-2-pyridinyl)- [ACD/Index Name]
3-{[4-Amino-3-(3-fluor-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-8-methyl-2-(3-methyl-2-pyridinyl)-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
3-{[4-Amino-3-(3-fluoro-5-hydroxyphényl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]méthyl}-8-méthyl-2-(3-méthyl-2-pyridinyl)-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
3-{[4-Amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-8-methyl-2-(3-methyl-2-pyridinyl)-1(2H)-isoquinolinone [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 814.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 446.5±34.3 °C
Index of Refraction: 1.744
Molar Refractivity: 139.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 150.87
ACD/KOC (pH 5.5): 1245.48
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 119.25
ACD/KOC (pH 7.4): 984.46
Polar Surface Area: 123 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 344.5±7.0 cm3

Click to predict properties on the Chemicalize site


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