ChemSpider 2D Image | 3-[(4-Amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-isopropylphenyl)-8-methyl-1(2H)-isoquinolinone | C25H23IN6O

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

  • Molecular FormulaC25H23IN6O
  • Average mass550.394 Da
  • Monoisotopic mass550.097778 Da
  • ChemSpider ID76734425

More details:

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

1(2H)-Isoquinolinone, 3-[(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-[2-(1-methylethyl)phenyl]- [ACD/Index Name]
3-[(4-Amino-3-iod-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-isopropylphenyl)-8-methyl-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
3-[(4-Amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)méthyl]-2-(2-isopropylphényl)-8-méthyl-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
3-[(4-Amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-isopropylphenyl)-8-methyl-1(2H)-isoquinolinone [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 707.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.5±32.9 °C
Index of Refraction: 1.748
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 641.78
ACD/KOC (pH 5.5): 3540.99
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 652.14
ACD/KOC (pH 7.4): 3598.17
Polar Surface Area: 90 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 336.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement