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ChemSpider 2D Image | Larotrectinib | C21H22F2N6O2


  • 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 [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-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]
larotrectinib [Spanish] [INN]

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


Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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