ChemSpider 2D Image | N-[(2R)-1-(3-Cyano-1-azetidinyl)-1-oxo-2-propanyl]-2-(6-fluoro-1-methyl-1H-indazol-3-yl)-4H-pyrrolo[2,3-b]pyrazine-7-carboxamide | C22H19FN8O2

N-[(2R)-1-(3-Cyano-1-azetidinyl)-1-oxo-2-propanyl]-2-(6-fluoro-1-methyl-1H-indazol-3-yl)-4H-pyrrolo[2,3-b]pyrazine-7-carboxamide

  • Molecular FormulaC22H19FN8O2
  • Average mass446.437 Da
  • Monoisotopic mass446.161499 Da
  • ChemSpider ID30815820
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

5H-Pyrrolo[2,3-b]pyrazine-7-carboxamide, N-[(1R)-2-(3-cyano-1-azetidinyl)-1-methyl-2-oxoethyl]-2-(6-fluoro-1-methyl-1H-indazol-3-yl)- [ACD/Index Name]
N-[(2R)-1-(3-Cyan-1-azetidinyl)-1-oxo-2-propanyl]-2-(6-fluor-1-methyl-1H-indazol-3-yl)-4H-pyrrolo[2,3-b]pyrazin-7-carboxamid [German] [ACD/IUPAC Name]
N-[(2R)-1-(3-Cyano-1-azetidinyl)-1-oxo-2-propanyl]-2-(6-fluoro-1-methyl-1H-indazol-3-yl)-4H-pyrrolo[2,3-b]pyrazine-7-carboxamide [ACD/IUPAC Name]
N-[(2R)-1-(3-Cyano-1-azétidinyl)-1-oxo-2-propanyl]-2-(6-fluoro-1-méthyl-1H-indazol-3-yl)-4H-pyrrolo[2,3-b]pyrazine-7-carboxamide [French] [ACD/IUPAC Name]
N-[(2r)-1-(3-Cyanoazetidin-1-Yl)-1-Oxidanylidene-Propan-2-Yl]-2-(6-Fluoranyl-1-Methyl-Indazol-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
10.1016/j.bmcl.2013.02.012
VFC

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.775
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.19
ACD/KOC (pH 5.5): 142.80
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.07
ACD/KOC (pH 7.4): 140.50
Polar Surface Area: 133 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 65.4±7.0 dyne/cm
Molar Volume: 281.5±7.0 cm3

Click to predict properties on the Chemicalize site






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