ChemSpider 2D Image | 4-[4-(Cyclopentyloxy)phenyl]-3-methyl-1-(1H-purin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one | C23H23N7O2

4-[4-(Cyclopentyloxy)phenyl]-3-methyl-1-(1H-purin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one

  • Molecular FormulaC23H23N7O2
  • Average mass429.474 Da
  • Monoisotopic mass429.191315 Da
  • ChemSpider ID28538190

More details:

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

4-[4-(Cyclopentyloxy)phenyl]-3-methyl-1-(1H-purin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-on [German] [ACD/IUPAC Name]
4-[4-(Cyclopentyloxy)phenyl]-3-methyl-1-(1H-purin-6-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [ACD/IUPAC Name]
4-[4-(Cyclopentyloxy)phényl]-3-méthyl-1-(1H-purin-6-yl)-1,4,5,7-tétrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [French] [ACD/IUPAC Name]
6H-Pyrazolo[3,4-b]pyridin-6-one, 4-[4-(cyclopentyloxy)phenyl]-1,4,5,7-tetrahydro-3-methyl-1-(9H-purin-6-yl)- [ACD/Index Name]
1374526-41-6 [RN]
4-(4-(cyclopentyloxy)phenyl)-3-methyl-1-(9H-purin-6-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
4-[4-(cyclopentyloxy)phenyl]-3-methyl-1-(9H-purin-6-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 743.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.5±3.0 kJ/mol
    Flash Point: 403.7±32.9 °C
    Index of Refraction: 1.807
    Molar Refractivity: 117.6±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.07
    ACD/LogD (pH 5.5): 3.29
    ACD/BCF (pH 5.5): 186.62
    ACD/KOC (pH 5.5): 1465.45
    ACD/LogD (pH 7.4): 3.05
    ACD/BCF (pH 7.4): 107.75
    ACD/KOC (pH 7.4): 846.11
    Polar Surface Area: 111 Å2
    Polarizability: 46.6±0.5 10-24cm3
    Surface Tension: 67.5±7.0 dyne/cm
    Molar Volume: 273.4±7.0 cm3

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