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2D Structure
Also known as: 1628260-79-6, Glpg-1690, Glpg1690, 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, Ziritaxestat [usan], Glpg-1690(ziritaxestat)
Molecular Formula
C30H33FN8O2S
Molecular Weight
588.7  g/mol
InChI Key
REQQVBGILUTQNN-UHFFFAOYSA-N
FDA UNII
I02418V13W

Ziritaxestat is under investigation in clinical trial NCT03798366 (A Clinical Study to Test How Effective and Safe GLPG1690 is for Patients With Systemic Sclerosis).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 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
2.1.2 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
2.1.3 InChI Key
REQQVBGILUTQNN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=C(N2C=C(C=C(C2=N1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)C5=NC(=C(S5)C#N)C6=CC=C(C=C6)F
2.2 Other Identifiers
2.2.1 UNII
I02418V13W
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 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

2. Glpg1690

2.3.2 Depositor-Supplied Synonyms

1. 1628260-79-6

2. Glpg-1690

3. Glpg1690

4. 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

5. Ziritaxestat [usan]

6. Glpg-1690(ziritaxestat)

7. Chembl3828074

8. G451990

9. I02418v13w

10. G-451990

11. 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

12. 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)-

13. Ziritaxestatn

14. Ziritaxestat (usan/inn)

15. Ziritaxestat [inn]

16. Ziritaxestat (glpg1690)

17. Gtpl9561

18. Schembl16051264

19. Unii-i02418v13w

20. Bcp20895

21. Ex-a1646

22. Bdbm50187686

23. Mfcd31544330

24. S8895

25. Who 11017

26. Cs-7634

27. Db15403

28. Sb19736

29. Compound 11 [pmid: 28414242]

30. Ac-36149

31. Hy-101772

32. J3.652.431f

33. D11844

34. A902613

35. Q23075652

36. 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;glpg1690

37. 42-ethyl-14-fluoro-83-hydroxy-3,48-dimethyl-7-oxo-3-aza-4(3,6)-imidazo(1,2-a)pyridina-5(1,4)-piperazina-2(4,2)-(1,3)thiazola-8(1)-azetidina-1(1)-benzenaoctaphane-25-carbonitrile

2.4 Create Date
2015-02-13
3 Chemical and Physical Properties
Molecular Weight 588.7 g/mol
Molecular Formula C30H33FN8O2S
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass588.24312166 g/mol
Monoisotopic Mass588.24312166 g/mol
Topological Polar Surface Area133 Ų
Heavy Atom Count42
Formal Charge0
Complexity995
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1