ChemSpider 2D Image | 5-({2-[6-(2-Ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}carbonyl)-2-pyridinecarbonitrile | C28H22FN7O2

5-({2-[6-(2-Ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}carbonyl)-2-pyridinecarbonitrile

  • Molecular FormulaC28H22FN7O2
  • Average mass507.518 Da
  • Monoisotopic mass507.181915 Da
  • ChemSpider ID58951057

More details:

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

2-Pyridinecarbonitrile, 5-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl]- [ACD/Index Name]
5-({2-[6-(2-Ethyl-5-fluor-4-hydroxyphenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}carbonyl)-2-pyridincarbonitril [German] [ACD/IUPAC Name]
5-({2-[6-(2-Ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}carbonyl)-2-pyridinecarbonitrile [ACD/IUPAC Name]
5-({2-[6-(2-Éthyl-5-fluoro-4-hydroxyphényl)-1H-indazol-3-yl]-1,4,6,7-tétrahydro-5H-imidazo[4,5-c]pyridin-5-yl}carbonyl)-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 906.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.2±3.0 kJ/mol
Flash Point: 501.7±34.3 °C
Index of Refraction: 1.756
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 57.92
ACD/KOC (pH 5.5): 615.00
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 60.53
ACD/KOC (pH 7.4): 642.70
Polar Surface Area: 135 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 99.6±5.0 dyne/cm
Molar Volume: 330.7±5.0 cm3

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