ChemSpider 2D Image | 2-Fluoro-6-[(2-{[4-(4-isopropyl-1-piperazinyl)-2-methoxyphenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide | C27H31FN8O2

2-Fluoro-6-[(2-{[4-(4-isopropyl-1-piperazinyl)-2-methoxyphenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide

  • Molecular FormulaC27H31FN8O2
  • Average mass518.586 Da
  • Monoisotopic mass518.255371 Da
  • ChemSpider ID24713410

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]benzamid [German] [ACD/IUPAC Name]
2-Fluoro-6-[(2-{[4-(4-isopropyl-1-pipérazinyl)-2-méthoxyphényl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide [French] [ACD/IUPAC Name]
2-Fluoro-6-[(2-{[4-(4-isopropyl-1-piperazinyl)-2-methoxyphenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide [ACD/IUPAC Name]
2-Fluoro-6-{[2-({2-Methoxy-4-[4-(1-Methylethyl)piperazin-1-Yl]phenyl}amino)-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl]amino}benzamide
Benzamide, 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]
GS3
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL507625/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 751.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.5±35.7 °C
Index of Refraction: 1.692
Molar Refractivity: 146.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 51.51
ACD/KOC (pH 7.4): 289.62
Polar Surface Area: 124 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 382.8±3.0 cm3

Click to predict properties on the Chemicalize site


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