ChemSpider 2D Image | 2-Fluoro-6-[(2-{[4-(4-isopropyl-1-piperazinyl)-2-methoxyphenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid | C27H30FN7O3

2-Fluoro-6-[(2-{[4-(4-isopropyl-1-piperazinyl)-2-methoxyphenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid

  • Molecular FormulaC27H30FN7O3
  • Average mass519.571 Da
  • Monoisotopic mass519.239441 Da
  • ChemSpider ID24715854

More details:

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

2-Fluor-6-[(2-{[4-(4-isopropyl-1-piperazinyl)-2-methoxyphenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoesäure [German] [ACD/IUPAC Name]
2-Fluoro-6-[(2-{[4-(4-isopropyl-1-piperazinyl)-2-methoxyphenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid [ACD/IUPAC Name]
Acide 2-fluoro-6-[(2-{[4-(4-isopropyl-1-pipérazinyl)-2-méthoxyphényl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-fluoro-6-[[2-[[2-methoxy-4-[4-(1-methylethyl)-1-piperazinyl]phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]- [ACD/Index Name]
GSK1819799A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514261/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 144.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 5.33
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 8.86
ACD/KOC (pH 7.4): 28.19
Polar Surface Area: 119 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 376.6±3.0 cm3

Click to predict properties on the Chemicalize site


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