ChemSpider 2D Image | 3-[(4-Amino-3-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-fluorophenyl)-8-methyl-1(2H)-isoquinolinone | C22H16ClFN6O

3-[(4-Amino-3-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-fluorophenyl)-8-methyl-1(2H)-isoquinolinone

  • Molecular FormulaC22H16ClFN6O
  • Average mass434.853 Da
  • Monoisotopic mass434.105804 Da
  • ChemSpider ID76817021

More details:

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

1(2H)-Isoquinolinone, 3-[(4-amino-3-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-fluorophenyl)-8-methyl- [ACD/Index Name]
3-[(4-Amino-3-chlor-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-fluorphenyl)-8-methyl-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
3-[(4-Amino-3-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)méthyl]-2-(2-fluorophényl)-8-méthyl-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
3-[(4-Amino-3-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-fluorophenyl)-8-methyl-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: 669.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.5±31.5 °C
Index of Refraction: 1.743
Molar Refractivity: 115.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 290.36
ACD/KOC (pH 5.5): 2008.97
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 294.10
ACD/KOC (pH 7.4): 2034.85
Polar Surface Area: 90 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 285.0±7.0 cm3

Click to predict properties on the Chemicalize site


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