ChemSpider 2D Image | N-[1-(3-Fluorobenzyl)-1H-indazol-5-yl]-5-{[(3R)-3-morpholinylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine | C26H26FN7O2

N-[1-(3-Fluorobenzyl)-1H-indazol-5-yl]-5-{[(3R)-3-morpholinylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine

  • Molecular FormulaC26H26FN7O2
  • Average mass487.529 Da
  • Monoisotopic mass487.213196 Da
  • ChemSpider ID23305118
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

N-[1-(3-Fluorbenzyl)-1H-indazol-5-yl]-5-{[(3R)-3-morpholinylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-amin [German] [ACD/IUPAC Name]
N-[1-(3-Fluorobenzyl)-1H-indazol-5-yl]-5-{[(3R)-3-morpholinylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine [ACD/IUPAC Name]
N-[1-(3-Fluorobenzyl)-1H-indazol-5-yl]-5-{[(3R)-3-morpholinylméthoxy]méthyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine [French] [ACD/IUPAC Name]
N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-{[(3R)-morpholin-3-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
Pyrrolo[2,1-f][1,2,4]triazin-4-amine, N-[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]-5-[[(3R)-3-morpholinylmethoxy]methyl]- [ACD/Index Name]
(R)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((morpholin-3-ylmethoxy)methyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CHEMBL246492

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: 1.709
Molar Refractivity: 132.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.87
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 8.58
ACD/KOC (pH 7.4): 93.08
Polar Surface Area: 91 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 340.5±7.0 cm3

Click to predict properties on the Chemicalize site






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