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Chemistry

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Also known as: 872365-14-5, Nvp-qaw039, Qaw039, Fevipiprant [inn], 2pex5n7dq4, Fevipiprant(nvp-qaw039)

Molecular Formula

C₁₉H₁₇F₃N₂O₄S

Molecular Weight

426.4 g/mol

InChI Key

GFPPXZDRVCSVNR-UHFFFAOYSA-N

FDA UNII

2PEX5N7DQ4

Fevipiprant has been used in trials studying the treatment of Asthma, Atopic Dermatitis, and Allergic Rhinitis.

1 2D Structure

Fevipiprant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid

2.1.2 InChI

InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)

2.1.3 InChI Key

GFPPXZDRVCSVNR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C2=C(N1CC3=C(C=C(C=C3)S(=O)(=O)C)C(F)(F)F)N=CC=C2)CC(=O)O

2.2 Other Identifiers

2.2.1 UNII

2PEX5N7DQ4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(4-methanesulfonylbenzyl)-2-methyl-1h-pyrrolo(2,3-b)pyridin-3-yl)acetic Acid

2. Nvp-qaw039

2.3.2 Depositor-Supplied Synonyms

1. 872365-14-5

2. Nvp-qaw039

3. Qaw039

4. Fevipiprant [inn]

5. 2pex5n7dq4

6. Fevipiprant(nvp-qaw039)

7. Qaw-039

8. 2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic Acid

9. (1-(4-((methane)sulfonyl)-2-trifluoromethylbenzyl)-2-methyl-1h-pyrrolo(2,3-b)pyridin-3-yl)acetic Acid

10. 2-(1-((4-methanesulfonyl-2-(trifluoromethyl)phenyl)methyl(-2-methyl-1h-pyrrolo(2,3-b)pyridin-3-yl)acetic Acid

11. 2-(2-methyl-1-(4-(methylsulfonyl)-2-(trifluoromethyl)benzyl)-1h-pyrrolo[2,3-b]pyridin-3-yl)acetic Acid

12. 2-methyl-1-[[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl]-1h-pyrrolo[2,3-b]pyridine-3-acetic Acid

13. Fevipiprant [usan:inn]

14. Unii-2pex5n7dq4

15. Qaw 039

16. Fevipiprant [jan]

17. Fevipiprant [usan]

18. Fevipiprant [who-dd]

19. Fevipiprant (jan/usan/inn)

20. Gtpl8995

21. Schembl1940595

22. Chembl3137332

23. Dtxsid501336031

24. Hms3743e19

25. Bcp25015

26. Ex-a2495

27. Bdbm50233520

28. Mfcd22548206

29. Zinc43101772

30. Ab85348

31. Cs-5956

32. Db12011

33. Fevipiprant; Nvp-qaw039; Qaw039

34. Sb16897

35. Ac-31956

36. As-74870

37. Hy-16768

38. Ds-022511

39. Ft-0774596

40. D10631

41. Q27077292

42. 1-(4-methanesulfonylbenzyl)-2-methyl-1h-pyrrolo(2,3-b)pyridin-3-yl)acetic Acid

43. (2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1h-pyrrolo[2,3-b]pyridin-3-yl)acetic Acid

44. [1-(4-methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl]-acetic Acid

45. [2-methyl-1-[4-(methylsulfonyl)-2-(trifluoromethyl)benzyl]-1h-pyrrolo[2,3-b]pyridin-3-yl]acetic Acid

46. 2-(1-{[4-methanesulfonyl-2-(trifluoromethyl)phenyl]methyl}-2-methyl-1h-pyrrolo[2,3-b]pyridin-3-yl)acetic Acid

47. 2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[5,4-b]pyridin-3-yl]acetic Acid

48. Fsy

2.4 Create Date

2007-12-10

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₇F₃N₂O₄S
Molecular Weight	426.4 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	426.08611269 g/mol
Monoisotopic Mass	426.08611269 g/mol
Topological Polar Surface Area	97.6 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	709
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1