Ziritaxestat
2-[[2-ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
Molecular Identity
Ziritaxestat
2-[[2-ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID: 90420193
2D Structure
Properties
C30H33FN8O2S
Molecular Formula
588.70
Molecular Weight
g/mol
588.2431
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
995
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Ziritaxestat1628260-79-6GLPG-1690GLPG1690ZiritaxestatnG451990I02418V13WG-4519905-Thiazolecarbonitrile, 2-[[2-ethyl-6-[4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1-piperazinyl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)-2-[[2-ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile5-Thiazolecarbonitrile, 2-((2-ethyl-6-(4-(2-(3-hydroxy-1-azetidinyl)-2-oxoethyl)-1-piperazinyl)-8-methylimidazo(1,2-a)pyridin-3-yl)methylamino)-4-(4-fluorophenyl)-ziritaxestatum2-((2-ethyl-6-(4-(2-(3-hydroxyazetidin-1-yl)-2-oxoethyl)piperazin-1-yl)-8-methylimidazo(1,2-a)pyridin-3-yl)-methylamino)-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrileRefChem:9053632-((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)thiazole-5-carbonitrile
Data from PubChem (NCBI)
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