ChemSpider 2D Image | 2-Fluoro-6-{[2-({1-[(4-isopropyl-1-piperazinyl)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide | C31H36FN9O3

2-Fluoro-6-{[2-({1-[(4-isopropyl-1-piperazinyl)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide

  • Molecular FormulaC31H36FN9O3
  • Average mass601.674 Da
  • Monoisotopic mass601.292542 Da
  • ChemSpider ID24712209

More details:

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

2-Fluor-6-{[2-({1-[(4-isopropyl-1-piperazinyl)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamid [German] [ACD/IUPAC Name]
2-Fluoro-6-{[2-({1-[(4-isopropyl-1-piperazinyl)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide [ACD/IUPAC Name]
2-Fluoro-6-{[2-({1-[2-(4-isopropyl-1-pipérazinyl)acétyl]-5-méthoxy-2,3-dihydro-1H-indol-6-yl}amino)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-[[2-[[2,3-dihydro-5-methoxy-1-[2-[4-(1-methylethyl)-1-piperazinyl]acetyl]-1H-indol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-6-fluoro- [ACD/Index Name]
GSK1751853A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 865.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 477.3±37.1 °C
Index of Refraction: 1.692
Molar Refractivity: 166.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 6.38
ACD/KOC (pH 7.4): 83.26
Polar Surface Area: 145 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 435.4±3.0 cm3

Click to predict properties on the Chemicalize site


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