ChemSpider 2D Image | 3-Methyl-1-(1H-purin-6-yl)-4-(4-pyridinyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one | C17H14N8O

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

  • Molecular FormulaC17H14N8O
  • Average mass346.346 Da
  • Monoisotopic mass346.129059 Da
  • ChemSpider ID23491850

More details:

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

1H-Pyrazolo[3,4-b]pyridin-6-ol, 4,5-dihydro-3-methyl-1-(9H-purin-6-yl)-4-(4-pyridinyl)- [ACD/Index Name]
3-Methyl-1-(1H-purin-6-yl)-4-(4-pyridinyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-on [German] [ACD/IUPAC Name]
3-Methyl-1-(1H-purin-6-yl)-4-(4-pyridinyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [ACD/IUPAC Name]
3-Méthyl-1-(1H-purin-6-yl)-4-(4-pyridinyl)-1,4,5,7-tétrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [French] [ACD/IUPAC Name]
1144454-71-6 [RN]
3-methyl-1-(9H-purin-6-yl)-4-(pyridin-4-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-(9H-purin-6-yl)-4-(pyridin-4-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
3-methyl-1-(9H-purin-6-yl)-4-(pyridin-4-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
3-Methyl-1-(9H-purin-6-yl)-4-pyridin-4-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: 1.7±0.1 g/cm3
    Boiling Point: 734.8±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 112.5±3.0 kJ/mol
    Flash Point: 398.2±35.7 °C
    Index of Refraction: 1.891
    Molar Refractivity: 94.1±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.26
    ACD/LogD (pH 5.5): 0.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 30.29
    ACD/LogD (pH 7.4): 0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.96
    Polar Surface Area: 118 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 78.9±7.0 dyne/cm
    Molar Volume: 203.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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