ChemSpider 2D Image | [3-(Dimethylamino)-1-azetidinyl]{(6S)-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-5-isopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-6-yl}methanone | C30H37N7O2

[3-(Dimethylamino)-1-azetidinyl]{(6S)-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-5-isopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-6-yl}methanone

  • Molecular FormulaC30H37N7O2
  • Average mass527.661 Da
  • Monoisotopic mass527.300903 Da
  • ChemSpider ID115009351

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[3-(Dimethylamino)-1-azetidinyl]{(6S)-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-5-isopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-6-yl}methanon [German] [ACD/IUPAC Name]
[3-(Dimethylamino)-1-azetidinyl]{(6S)-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-5-isopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-6-yl}methanone [ACD/IUPAC Name]
[3-(Diméthylamino)-1-azétidinyl]{(6S)-2-[6-(2-éthyl-4-hydroxyphényl)-1H-indazol-3-yl]-5-isopropyl-4,5,6,7-tétrahydro-1H-imidazo[4,5-c]pyridin-6-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(dimethylamino)-1-azetidinyl][(6S)-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-5-(1-methylethyl)-1H-imidazo[4,5-c]pyridin-6-yl]- [ACD/Index Name]
2412496-23-0 [RN]
nezulcitinib

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

Density: 1.4±0.1 g/cm3
Boiling Point: 823.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 451.9±34.3 °C
Index of Refraction: 1.702
Molar Refractivity: 151.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 52.12
ACD/KOC (pH 7.4): 462.67
Polar Surface Area: 104 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 390.2±5.0 cm3

Click to predict properties on the Chemicalize site


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