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ChemSpider 2D Image | avapritinib | C26H27FN10

avapritinib

  • Molecular FormulaC26H27FN10
  • Average mass498.558 Da
  • Monoisotopic mass498.240417 Da
  • ChemSpider ID58828673
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(1S)-1-(4-Fluorophenyl)-1-(2-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1-piperazinyl}-5-pyrimidinyl)ethanamine [ACD/IUPAC Name]
(1S)-1-(4-Fluorophényl)-1-(2-{4-[6-(1-méthyl-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1-pipérazinyl}-5-pyrimidinyl)éthanamine [French] [ACD/IUPAC Name]
(1S)-1-(4-Fluorphenyl)-1-(2-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1-piperazinyl}-5-pyrimidinyl)ethanamin [German] [ACD/IUPAC Name]
10613
1703793-34-3 [RN]
513P80B4YJ
5-Pyrimidinemethanamine, α-(4-fluorophenyl)-α-methyl-2-[4-[6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1-piperazinyl]-, (αS)- [ACD/Index Name]
avapritinib [INN] [USAN]
avapritinib [French] [INN]
avapritinib [Spanish] [INN]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.734
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.85
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 12.33
ACD/KOC (pH 7.4): 190.29
Polar Surface Area: 106 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 349.5±7.0 cm3

Click to predict properties on the Chemicalize site






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