ChemSpider 2D Image | 3-[(2-chloropyridin-4-yl)methyl]-1-cyclobutyl-3H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-c]isoquinolin-5-one | C20H21ClN4O

3-[(2-chloropyridin-4-yl)methyl]-1-cyclobutyl-3H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-c]isoquinolin-5-one

  • Molecular FormulaC20H21ClN4O
  • Average mass368.860 Da
  • Monoisotopic mass368.140381 Da
  • ChemSpider ID38237258

More details:

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

1951439-42-1 [RN]
3-[(2-Chlor-4-pyridinyl)methyl]-1-cyclobutyl-3,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-c]isochinolin-5-on [German] [ACD/IUPAC Name]
3-[(2-Chloro-4-pyridinyl)méthyl]-1-cyclobutyl-3,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-c]isoquinoléin-5-one [French] [ACD/IUPAC Name]
3-[(2-Chloro-4-pyridinyl)methyl]-1-cyclobutyl-3,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-c]isoquinolin-5-one [ACD/IUPAC Name]
3-[(2-chloropyridin-4-yl)methyl]-1-cyclobutyl-3H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-c]isoquinolin-5-one
5H-Pyrazolo[3,4-c]isoquinolin-5-one, 3-[(2-chloro-4-pyridinyl)methyl]-1-cyclobutyl-3,4,6,7,8,9-hexahydro- [ACD/Index Name]
3-((2-Chloropyridin-4-yl)methyl)-1-cyclobutyl-3,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-c]isoquinolin-5-one
3-((2-CHLOROPYRIDIN-4-YL)METHYL)-1-CYCLOBUTYL-6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[3,4-C]ISOQUINOLIN-5(4H)-ONE
MFCD27991334

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 660.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.2±3.0 kJ/mol
    Flash Point: 353.3±31.5 °C
    Index of Refraction: 1.764
    Molar Refractivity: 100.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.68
    ACD/LogD (pH 5.5): 3.64
    ACD/BCF (pH 5.5): 343.60
    ACD/KOC (pH 5.5): 2274.45
    ACD/LogD (pH 7.4): 3.64
    ACD/BCF (pH 7.4): 343.69
    ACD/KOC (pH 7.4): 2275.06
    Polar Surface Area: 60 Å2
    Polarizability: 39.9±0.5 10-24cm3
    Surface Tension: 61.1±7.0 dyne/cm
    Molar Volume: 243.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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