ChemSpider 2D Image | 3-({4-Amino-3-[(1E)-3-(4-morpholinyl)-3-oxo-1-propen-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}methyl)-8-methyl-2-(2-methylphenyl)-1(2H)-isoquinolinone | C30H29N7O3

3-({4-Amino-3-[(1E)-3-(4-morpholinyl)-3-oxo-1-propen-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}methyl)-8-methyl-2-(2-methylphenyl)-1(2H)-isoquinolinone

  • Molecular FormulaC30H29N7O3
  • Average mass535.596 Da
  • Monoisotopic mass535.233215 Da
  • ChemSpider ID76736164

  • Double-bond stereo - Double-bond stereo

More details:

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

1(2H)-Isoquinolinone, 3-[[4-amino-3-[(1E)-3-(4-morpholinyl)-3-oxo-1-propen-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)- [ACD/Index Name]
3-({4-Amino-3-[(1E)-3-(4-morpholinyl)-3-oxo-1-propen-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}methyl)-8-methyl-2-(2-methylphenyl)-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
3-({4-Amino-3-[(1E)-3-(4-morpholinyl)-3-oxo-1-propén-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}méthyl)-8-méthyl-2-(2-méthylphényl)-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
3-({4-Amino-3-[(1E)-3-(4-morpholinyl)-3-oxo-1-propen-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}methyl)-8-methyl-2-(2-methylphenyl)-1(2H)-isoquinolinone [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: 838.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 460.8±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 151.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.13
ACD/KOC (pH 5.5): 596.10
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.28
ACD/KOC (pH 7.4): 630.78
Polar Surface Area: 119 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 386.2±7.0 cm3

Click to predict properties on the Chemicalize site


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