ChemSpider 2D Image | 4-{[(1R)-1-Cyanoethyl]amino}-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]nicotinamide | C22H22FN7O2

4-{[(1R)-1-Cyanoethyl]amino}-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]nicotinamide

  • Molecular FormulaC22H22FN7O2
  • Average mass435.454 Da
  • Monoisotopic mass435.181915 Da
  • ChemSpider ID123967835

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Pyridinecarboxamide, 4-[[(1R)-1-cyanoethyl]amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]- [ACD/Index Name]
4-{[(1R)-1-Cyanethyl]amino}-6-(3-cyanpyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluor-3-hydroxy-3-methylbutyl]nicotinamid [German] [ACD/IUPAC Name]
4-{[(1R)-1-Cyanoethyl]amino}-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]nicotinamide [ACD/IUPAC Name]
4-{[(1R)-1-Cyanoéthyl]amino}-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-méthylbutyl]nicotinamide [French] [ACD/IUPAC Name]
2408839-73-4 [RN]
Edecesertib

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.57
ACD/KOC (pH 5.5): 259.03
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.72
ACD/KOC (pH 7.4): 261.29
Polar Surface Area: 139 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 324.3±7.0 cm3

Click to predict properties on the Chemicalize site


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