ChemSpider 2D Image | CCT244747 | C20H24N8O2

CCT244747

  • Molecular FormulaC20H24N8O2
  • Average mass408.457 Da
  • Monoisotopic mass408.202209 Da
  • ChemSpider ID28649771

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1404095-34-6 [RN]
2-Pyrazinecarbonitrile, 3-[(1R)-2-(dimethylamino)-1-methylethoxy]-5-[[4-methoxy-5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]- [ACD/Index Name]
3-{[(2R)-1-(Dimethylamino)-2-propanyl]oxy}-5-{[4-methoxy-5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino}-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
3-{[(2R)-1-(Dimethylamino)-2-propanyl]oxy}-5-{[4-methoxy-5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino}-2-pyrazinecarbonitrile [ACD/IUPAC Name]
3-{[(2R)-1-(Diméthylamino)-2-propanyl]oxy}-5-{[4-méthoxy-5-(1-méthyl-1H-pyrazol-4-yl)-2-pyridinyl]amino}-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]
3-{[(2R)-1-(DIMETHYLAMINO)PROPAN-2-YL]OXY}-5-{[4-METHOXY-5-(1-METHYL-1H-PYRAZOL-4-YL)PYRIDIN-2-YL]AMINO}PYRAZINE-2-CARBONITRILE
3-{[(2R)-1-(DIMETHYLAMINO)PROPAN-2-YL]OXY}-5-{[4-METHOXY-5-(1-METHYLPYRAZOL-4-YL)PYRIDIN-2-YL]AMINO}PYRAZINE-2-CARBONITRILE
CCT244747
(R)-3-((1-(dimethylamino)propan-2-yl)oxy)-5-((4-methoxy-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl)amino)pyrazine-2-carbonitrile
[1404095-34-6] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 562.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.6±3.0 kJ/mol
    Flash Point: 294.0±30.1 °C
    Index of Refraction: 1.633
    Molar Refractivity: 114.0±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.68
    ACD/LogD (pH 5.5): 0.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.57
    ACD/LogD (pH 7.4): 2.02
    ACD/BCF (pH 7.4): 13.07
    ACD/KOC (pH 7.4): 129.73
    Polar Surface Area: 114 Å2
    Polarizability: 45.2±0.5 10-24cm3
    Surface Tension: 47.2±7.0 dyne/cm
    Molar Volume: 319.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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