ChemSpider 2D Image | Larotrectinib | C21H22F2N6O2

Larotrectinib

  • Molecular FormulaC21H22F2N6O2
  • Average mass428.435 Da
  • Monoisotopic mass428.177216 Da
  • ChemSpider ID44210503

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-N-[5-[(2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxy-1-pyrrolidinecarboxamide
(3S)-N-{5-[(2R)-2-(2,5-Difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl}-3-hydroxy-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S)-N-{5-[(2R)-2-(2,5-Difluorophényl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl}-3-hydroxy-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(3S)-N-{5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl}-3-hydroxypyrrolidine-1-carboxamide
(3S)-N-{5-[(2R)-2-(2,5-Difluorphenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl}-3-hydroxy-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(S)-N-{5-[(R)-2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl}-3-hydroxypyrrolidine-1-carboxamide [ACD/IUPAC Name]
1223403-58-4 [RN]
1-Pyrrolidinecarboxamide, N-[5-[(2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxy-, (3S)- [ACD/Index Name]
20255616 [Beilstein]
larotrectinib [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10360 [DBID]
PF9462I9HX [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.725
    Molar Refractivity: 109.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.48
    ACD/LogD (pH 5.5): 1.58
    ACD/BCF (pH 5.5): 9.29
    ACD/KOC (pH 5.5): 170.79
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 4.22
    ACD/KOC (pH 7.4): 77.61
    Polar Surface Area: 86 Å2
    Polarizability: 43.2±0.5 10-24cm3
    Surface Tension: 60.0±7.0 dyne/cm
    Molar Volume: 274.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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