ChemSpider 2D Image | 3-[2-(Benzyloxy)-8-methyl-6-quinolinyl]-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C25H24N6O

3-[2-(Benzyloxy)-8-methyl-6-quinolinyl]-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC25H24N6O
  • Average mass424.498 Da
  • Monoisotopic mass424.201172 Da
  • ChemSpider ID35034836

More details:






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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(1-methylethyl)-3-[8-methyl-2-(phenylmethoxy)-6-quinolinyl]- [ACD/Index Name]
3-[2-(Benzyloxy)-8-methyl-6-chinolinyl]-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-[2-(Benzyloxy)-8-méthyl-6-quinoléinyl]-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
3-[2-(Benzyloxy)-8-methyl-6-quinolinyl]-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-[2-(Benzyloxy)-8-Methylquinolin-6-Yl]-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
2H1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 635.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.4±30.1 °C
Index of Refraction: 1.695
Molar Refractivity: 123.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1064.93
ACD/KOC (pH 5.5): 5082.96
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1085.91
ACD/KOC (pH 7.4): 5183.08
Polar Surface Area: 92 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 322.4±7.0 cm3

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