ChemSpider 2D Image | 2-{[(2-Ethyl-6-{4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1-piperazinyl}-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino}-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile | C30H33FN8O2S

2-{[(2-Ethyl-6-{4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1-piperazinyl}-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino}-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

  • Molecular FormulaC30H33FN8O2S
  • Average mass588.699 Da
  • Monoisotopic mass588.243103 Da
  • ChemSpider ID77447182

More details:

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

2-{[(2-Ethyl-6-{4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1-piperazinyl}-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino}-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile [ACD/IUPAC Name]
2-{[(2-Éthyl-6-{4-[2-(3-hydroxy-1-azétidinyl)-2-oxoéthyl]-1-pipérazinyl}-8-méthylimidazo[1,2-a]pyridin-3-yl)méthyl]amino}-4-(4-fluorophényl)-1,3-thiazole-5-carbonitrile [French] [ACD/IUPAC Name]
2-{[(2-Ethyl-6-{4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1-piperazinyl}-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino}-4-(4-fluorphenyl)-1,3-thiazol-5-carbonitril [German] [ACD/IUPAC Name]
5-Thiazolecarbonitrile, 2-[[[2-ethyl-6-[4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1-piperazinyl]-8-methylimidazo[1,2-a]pyridin-3-yl]methyl]amino]-4-(4-fluorophenyl)- [ACD/Index Name]
1628260-79-6 [RN]
2-{[(2-ethyl-6-{4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl}-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]amino}-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
GLPG1690

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: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.90
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 11.81
ACD/KOC (pH 7.4): 164.51
Polar Surface Area: 141 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 407.8±7.0 cm3

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