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Search term: GNSZLKHAOIWBEM-LSDHHAIUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(1R,3S)-3-({5-Fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-pyrimidinyl}amino)cyclohexyl]-1-pyrrolidinecarboxamide | C23H27F2N7O2

N-[(1R,3S)-3-({5-Fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-pyrimidinyl}amino)cyclohexyl]-1-pyrrolidinecarboxamide

  • Molecular FormulaC23H27F2N7O2
  • Average mass471.503 Da
  • Monoisotopic mass471.219421 Da
  • ChemSpider ID59052749

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Pyrrolidinecarboxamide, N-[(1R,3S)-3-[[5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-pyrimidinyl]amino]cyclohexyl]- [ACD/Index Name]
N-[(1R,3S)-3-({5-Fluor-2-[5-fluor-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-pyrimidinyl}amino)cyclohexyl]-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-[(1R,3S)-3-({5-Fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-pyrimidinyl}amino)cyclohexyl]-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-[(1R,3S)-3-({5-Fluoro-2-[5-fluoro-2-(hydroxyméthyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-pyrimidinyl}amino)cyclohexyl]-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-[(1r,3s)-3-({5-Fluoro-2-[5-Fluoro-2-(Hydroxymethyl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]pyrimidin-4-Yl}amino)cyclohexyl]pyrrolidine-1-Carboxamide
4V7

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.73
ACD/KOC (pH 5.5): 214.60
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.78
ACD/KOC (pH 7.4): 215.48
Polar Surface Area: 119 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 77.9±5.0 dyne/cm
Molar Volume: 324.6±5.0 cm3

Click to predict properties on the Chemicalize site


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