ChemSpider 2D Image | TAS-116 | C25H26N8O

TAS-116

  • Molecular FormulaC25H26N8O
  • Average mass454.527 Da
  • Monoisotopic mass454.222961 Da
  • ChemSpider ID58796458

More details:






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

1260533-36-5 [RN]
3-Ethyl-4-{3-isopropyl-4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamid [German] [ACD/IUPAC Name]
3-Ethyl-4-{3-isopropyl-4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide [ACD/IUPAC Name]
3-Éthyl-4-{3-isopropyl-4-[4-(1-méthyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-ethyl-4-[3-(1-methylethyl)-4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-1H-pyrazolo[3,4-b]pyridin-1-yl]- [ACD/Index Name]
PLO044MUDZ
TAS-116
3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
3-ethyl-4-{3-isopropyl-4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]pyrazolo[3,4-b]pyridin-1-yl}benzamide
3-ethyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 661.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.4±3.0 kJ/mol
    Flash Point: 354.0±31.5 °C
    Index of Refraction: 1.715
    Molar Refractivity: 131.1±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.15
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 48.81
    ACD/KOC (pH 5.5): 562.38
    ACD/LogD (pH 7.4): 2.53
    ACD/BCF (pH 7.4): 48.91
    ACD/KOC (pH 7.4): 563.47
    Polar Surface Area: 109 Å2
    Polarizability: 52.0±0.5 10-24cm3
    Surface Tension: 55.2±7.0 dyne/cm
    Molar Volume: 333.8±7.0 cm3

    Click to predict properties on the Chemicalize site






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