ChemSpider 2D Image | (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE | C22H31FN6O2

(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE

  • Molecular FormulaC22H31FN6O2
  • Average mass430.519 Da
  • Monoisotopic mass430.249237 Da
  • ChemSpider ID24684686

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3S)-3-Amino-4-[(3S)-3-fluor-1-pyrrolidinyl]-N,N-dimethyl-4-oxo-2-[trans-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexyl]butanamid [German] [ACD/IUPAC Name]
(2S,3S)-3-Amino-4-[(3S)-3-fluoro-1-pyrrolidinyl]-N,N-dimethyl-4-oxo-2-[trans-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexyl]butanamide [ACD/IUPAC Name]
(2S,3S)-3-Amino-4-[(3S)-3-fluoro-1-pyrrolidinyl]-N,N-diméthyl-4-oxo-2-[trans-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)cyclohexyl]butanamide [French] [ACD/IUPAC Name]
(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE
1-Pyrrolidinebutanamide, β-amino-3-fluoro-N,N-dimethyl-γ-oxo-α-(trans-4-[1,2,4]triazolo[1,5-a]pyridin-5-ylcyclohexyl)-, (αS,βS,3S)- [ACD/Index Name]
(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-[(1r,4S)-4-{[1,2,4]triazolo[1,5-a]pyridin-5-yl}cyclohexyl]butanamide
(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-[(4S)-4-{[1,2,4]triazolo[1,5-a]pyridin-5-yl}cyclohexyl]butanamide
CHEMBL400841
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400841/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 114.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.85
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.02
ACD/KOC (pH 7.4): 73.86
Polar Surface Area: 97 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 306.7±7.0 cm3

Click to predict properties on the Chemicalize site


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