ChemSpider 2D Image | 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]indole-2-carbonitrile | C28H27F3N8S

4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]indole-2-carbonitrile

  • Molecular FormulaC28H27F3N8S
  • Average mass564.628 Da
  • Monoisotopic mass564.203125 Da
  • ChemSpider ID35035334

More details:

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

1857417-13-0 [RN]
1H-Indole-2-carbonitrile, 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-piperidinyl]methyl]- [ACD/Index Name]
4-Methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluorethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indol-2-carbonitril [German] [ACD/IUPAC Name]
4-Methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indole-2-carbonitrile [ACD/IUPAC Name]
4-Méthyl-1-(1H-pyrazol-4-ylméthyl)-5-[(4-{[6-(2,2,2-trifluoroéthyl)thiéno[2,3-d]pyrimidin-4-yl]amino}-1-pipéridinyl)méthyl]-1H-indole-2-carbonitrile [French] [ACD/IUPAC Name]
4-Methyl-1-(1h-Pyrazol-4-Ylmethyl)-5-[(4-{[6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidin-4-Yl]amino}piperidin-1-Yl)methyl]-1h-Indole-2-Carbonitrile
4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]indole-2-carbonitrile
4-methyl-1-[(1H-pyrazol-4-yl)methyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
1-((1H-pyrazol-4-yl)methyl)-4-methyl-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile
1-((1H-Pyrazol-4-yl)methyl)-4-methyl-5-((4-(6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 782.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.9±3.0 kJ/mol
    Flash Point: 427.3±32.9 °C
    Index of Refraction: 1.712
    Molar Refractivity: 149.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.08
    ACD/LogD (pH 5.5): 2.19
    ACD/BCF (pH 5.5): 7.05
    ACD/KOC (pH 5.5): 28.16
    ACD/LogD (pH 7.4): 4.01
    ACD/BCF (pH 7.4): 459.83
    ACD/KOC (pH 7.4): 1838.15
    Polar Surface Area: 127 Å2
    Polarizability: 59.1±0.5 10-24cm3
    Surface Tension: 55.1±7.0 dyne/cm
    Molar Volume: 381.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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