ChemSpider 2D Image | Futibatinib | C22H22N6O3

Futibatinib

  • Molecular FormulaC22H22N6O3
  • Average mass418.448 Da
  • Monoisotopic mass418.175354 Da
  • ChemSpider ID58877816

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(3S)-3-{4-Amino-3-[(3,5-dimethoxyphenyl)ethinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1-pyrrolidinyl]-2-propen-1-on [German] [ACD/IUPAC Name]
1-[(3S)-3-{4-Amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1-pyrrolidinyl]-2-propen-1-one [ACD/IUPAC Name]
1-[(3S)-3-{4-Amino-3-[(3,5-diméthoxyphényl)éthynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1-pyrrolidinyl]-2-propén-1-one [French] [ACD/IUPAC Name]
1448169-71-8 [RN]
2-Propen-1-one, 1-[(3S)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-pyrrolidinyl]- [ACD/Index Name]
futibatinib [French] [INN]
futibatinib [Spanish] [INN]
Futibatinib [INN]
futibatinibum [Latin] [INN]
TAS 120
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 733.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.1±3.0 kJ/mol
    Flash Point: 397.6±32.9 °C
    Index of Refraction: 1.663
    Molar Refractivity: 115.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.14
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 5.82
    ACD/KOC (pH 5.5): 122.21
    ACD/LogD (pH 7.4): 1.32
    ACD/BCF (pH 7.4): 5.91
    ACD/KOC (pH 7.4): 124.14
    Polar Surface Area: 108 Å2
    Polarizability: 45.9±0.5 10-24cm3
    Surface Tension: 52.3±7.0 dyne/cm
    Molar Volume: 312.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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