AG001TG5

1628260-79-6 | 5-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)-

AG001TG5

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CAS Number	1628260-79-6
Catalog Number	AG001TG5(AGN-PC-0WGD12)
Chemical 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]methylamino]-4-(4-fluorophenyl)-
IUPAC Name	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
InChI	InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3
InChI Key	REQQVBGILUTQNN-UHFFFAOYSA-N
MDL Number	MFCD31544330
Molecular Formula	C30H33FN8O2S
Molecular Weight	588.6988
SMILES	N#CC1=C(C2=CC=C(F)C=C2)N=C(N(C3=C(CC)N=C4C(C)=CC(N5CCN(CC(N6CC(O)C6)=O)CC5)=CN43)C)S1
UNII	I02418V13W
Synonyms	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)thiazole-5-carbonitrile, GLPG1690, GLPG1690, 1628260-79-6, GLPG-1690, Ziritaxestat, CHEMBL3828074, UNII-I02418V13W, I02418V13W, 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)thiazole-5-carbonitrile, GTPL9561, SCHEMBL16051264, BCP20895, EX-A1646, BDBM50187686, MFCD31544330, AKOS032946267, CS-7634, SB19736, compound 11 [PMID: 28414242], AK687397, HY-101772, J3.652.431F, 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, GLPD-1690, REQQVBGILUTQNN-UHFFFAOYSA-N, 2-[[2-Ethyl-8-Methyl-6-[4-[2-(3-Oxidanylazetidin-1-Yl)-2-Oxidanylidene-Ethyl]piperazin-1-Yl]imidazo[1,2-A]pyridin-3-Yl]-Methyl-Amino]-4-(4-Fluorophenyl)-1,3-Thiazole-5-Carbonitrile, 5-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)-, N/A,

Complexity	995
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	588.243g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	588.706g/mol
Monoisotopic Mass	588.243g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	133A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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