ChemSpider 2D Image | 2-{[2-Ethyl-6-(1-{2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoethyl}-4-piperidinyl)imidazo[1,2-a]pyrazin-3-yl](methyl)amino}-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile | C30H33FN8O2S

2-{[2-Ethyl-6-(1-{2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoethyl}-4-piperidinyl)imidazo[1,2-a]pyrazin-3-yl](methyl)amino}-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

  • Molecular FormulaC30H33FN8O2S
  • Average mass588.699 Da
  • Monoisotopic mass588.243103 Da
  • ChemSpider ID129028833

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{[2-Ethyl-6-(1-{2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoethyl}-4-piperidinyl)imidazo[1,2-a]pyrazin-3-yl](methyl)amino}-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile [ACD/IUPAC Name]
2-{[2-Éthyl-6-(1-{2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoéthyl}-4-pipéridinyl)imidazo[1,2-a]pyrazin-3-yl](méthyl)amino}-4-(4-fluorophényl)-1,3-thiazole-5-carbonitrile [French] [ACD/IUPAC Name]
2-{[2-Ethyl-6-(1-{2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoethyl}-4-piperidinyl)imidazo[1,2-a]pyrazin-3-yl](methyl)amino}-4-(4-fluorphenyl)-1,3-thiazol-5-carbonitril [German] [ACD/IUPAC Name]
5-Thiazolecarbonitrile, 2-[[2-ethyl-6-[1-[2-[(3S)-3-hydroxy-1-pyrrolidinyl]-2-oxoethyl]-4-piperidinyl]imidazo[1,2-a]pyrazin-3-yl]methylamino]-4-(4-fluorophenyl)- [ACD/Index Name]

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: 1.722
Molar Refractivity: 161.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 25.27
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.05
ACD/KOC (pH 7.4): 255.98
Polar Surface Area: 142 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 407.8±7.0 cm3

Click to predict properties on the Chemicalize site


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