ChemSpider 2D Image | 1-Benzyl-4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one | C21H19F2N3O3

1-Benzyl-4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one

  • Molecular FormulaC21H19F2N3O3
  • Average mass399.391 Da
  • Monoisotopic mass399.139435 Da
  • ChemSpider ID27321557

More details:

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

1-Benzyl-4-[4-(difluormethoxy)-3-methoxyphenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-on [German] [ACD/IUPAC Name]
1-Benzyl-4-[4-(difluoromethoxy)-3-methoxyphenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [ACD/IUPAC Name]
1-Benzyl-4-[4-(difluorométhoxy)-3-méthoxyphényl]-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-(difluoromethoxy)-3-methoxyphenyl]-1,4,5,7-tetrahydro-1-(phenylmethyl)- [ACD/Index Name]
1246056-20-1 [RN]
1-benzyl-4-(4-(difluoromethoxy)-3-methoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
1-Benzyl-4-(4-difluoromethoxy-3-methoxy-phenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
1-benzyl-4-[4-(difluoromethoxy)-3-methoxyphenyl]-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: 1.4±0.1 g/cm3
    Boiling Point: 568.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.7±3.0 kJ/mol
    Flash Point: 297.4±32.9 °C
    Index of Refraction: 1.619
    Molar Refractivity: 102.4±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.96
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 33.94
    ACD/KOC (pH 5.5): 404.25
    ACD/LogD (pH 7.4): 2.33
    ACD/BCF (pH 7.4): 32.06
    ACD/KOC (pH 7.4): 381.84
    Polar Surface Area: 69 Å2
    Polarizability: 40.6±0.5 10-24cm3
    Surface Tension: 45.2±7.0 dyne/cm
    Molar Volume: 291.8±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement