ChemSpider 2D Image | Pf-06459988 | C19H22ClN7O3

Pf-06459988

  • Molecular FormulaC19H22ClN7O3
  • Average mass431.876 Da
  • Monoisotopic mass431.147278 Da
  • ChemSpider ID49070958

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-one
1-[(3R,4R)-3-[({5-chloro-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-one
1-[(3R,4R)-3-[[[5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]methyl]-4-methoxy-1-pyrrolidinyl]-2-propen-1-one
1-{(3R,4R)-3-[({5-Chlor-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxy-1-pyrrolidinyl}-2-propen-1-on [German] [ACD/IUPAC Name]
1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxy-1-pyrrolidinyl}-2-propen-1-one [ACD/IUPAC Name]
1-{(3R,4R)-3-[({5-Chloro-2-[(1-méthyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)méthyl]-4-méthoxy-1-pyrrolidinyl}-2-propén-1-one [French] [ACD/IUPAC Name]
1428774-45-1 [RN]
2-Propen-1-one, 1-[(3R,4R)-3-[[[5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]methyl]-4-methoxy-1-pyrrolidinyl]- [ACD/Index Name]
MFCD28987462
Pf-06459988
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5IE92SK9EB [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 723.8±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.7±3.0 kJ/mol
    Flash Point: 391.5±35.7 °C
    Index of Refraction: 1.701
    Molar Refractivity: 110.8±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: -1.00
    ACD/LogD (pH 5.5): 0.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 16.70
    ACD/LogD (pH 7.4): 0.84
    ACD/BCF (pH 7.4): 2.54
    ACD/KOC (pH 7.4): 67.14
    Polar Surface Area: 110 Å2
    Polarizability: 43.9±0.5 10-24cm3
    Surface Tension: 56.8±7.0 dyne/cm
    Molar Volume: 286.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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