ChemSpider 2D Image | leniolisib | C21H25F3N6O2

leniolisib

  • Molecular FormulaC21H25F3N6O2
  • Average mass450.457 Da
  • Monoisotopic mass450.199097 Da
  • ChemSpider ID52083264
  • defined stereocentres - 1 of 1 defined stereocentres


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

1-[(3S)-3-({6-[6-Methoxy-5-(trifluormethyl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}amino)-1-pyrrolidinyl]-1-propanon [German] [ACD/IUPAC Name]
1-[(3S)-3-({6-[6-Methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}amino)-1-pyrrolidinyl]-1-propanone [ACD/IUPAC Name]
1-[(3S)-3-({6-[6-Méthoxy-5-(trifluorométhyl)-3-pyridinyl]-5,6,7,8-tétrahydropyrido[4,3-d]pyrimidin-4-yl}amino)-1-pyrrolidinyl]-1-propanone [French] [ACD/IUPAC Name]
1354690-24-6 [RN]
1-Propanone, 1-[(3S)-3-[[5,6,7,8-tetrahydro-6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-yl]amino]-1-pyrrolidinyl]- [ACD/Index Name]
L22772Z9CP
leniolisib [INN]
leniolisib [Spanish] [INN]
léniolisib [French] [INN]
leniolisibum [Latin] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10255 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 669.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.4±3.0 kJ/mol
    Flash Point: 358.6±31.5 °C
    Index of Refraction: 1.585
    Molar Refractivity: 111.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.67
    ACD/LogD (pH 5.5): 2.92
    ACD/BCF (pH 5.5): 83.94
    ACD/KOC (pH 5.5): 700.85
    ACD/LogD (pH 7.4): 3.17
    ACD/BCF (pH 7.4): 150.33
    ACD/KOC (pH 7.4): 1255.11
    Polar Surface Area: 83 Å2
    Polarizability: 44.1±0.5 10-24cm3
    Surface Tension: 55.9±3.0 dyne/cm
    Molar Volume: 331.7±3.0 cm3

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