Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: Pf-06882961, 2230198-02-2, Danuglipron [usan], Dn9iui24gp, (s)-2-((4-(6-((4-cyano-2-fluorobenzyl)oxy)pyridin-2-yl)piperidin-1-yl)methyl)-1-(oxetan-2-ylmethyl)-1h-benzo[d]imidazole-6-carboxylic acid, 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2s)-oxetan-2-yl]methyl}-1h-benzimidazole-6-carboxylic acid
Molecular Formula
C31H30FN5O4
Molecular Weight
555.6  g/mol
InChI Key
HYBAKUMPISVZQP-DEOSSOPVSA-N
FDA UNII
DN9IUI24GP

PF-06882961 is under investigation in clinical trial NCT03985293 (A 16 Week Study to Evaluate the Efficacy and Safety of PF-06882961 in Adults With Type 2 Diabetes Mellitus).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
2.1.2 InChI
InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1
2.1.3 InChI Key
HYBAKUMPISVZQP-DEOSSOPVSA-N
2.1.4 Canonical SMILES
C1CN(CCC1C2=NC(=CC=C2)OCC3=C(C=C(C=C3)C#N)F)CC4=NC5=C(N4CC6CCO6)C=C(C=C5)C(=O)O
2.1.5 Isomeric SMILES
C1CO[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)N=C2CN4CCC(CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)C#N)F
2.2 Other Identifiers
2.2.1 UNII
DN9IUI24GP
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Pf-06882961

2. 2230198-02-2

3. Danuglipron [usan]

4. Dn9iui24gp

5. (s)-2-((4-(6-((4-cyano-2-fluorobenzyl)oxy)pyridin-2-yl)piperidin-1-yl)methyl)-1-(oxetan-2-ylmethyl)-1h-benzo[d]imidazole-6-carboxylic Acid

6. 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2s)-oxetan-2-yl]methyl}-1h-benzimidazole-6-carboxylic Acid

7. 1h-benzimidazole-6-carboxylic Acid, 2-((4-(6-((4-cyano-2-fluorophenyl)methoxy)-2-pyridinyl)-1-piperidinyl)methyl)-1-((2s)-2-oxetanylmethyl)-

8. Uk4

9. Danuglipron [who-dd]

10. Unii-dn9iui24gp

11. Danuglipron [inn]

12. Chembl4518483

13. Schembl20266351

14. Gtpl12064

15. Bdbm349662

16. Dtxsid601101457

17. Ex-a3607

18. Mfcd32661373

19. S9851

20. Who 11630

21. Akos040734445

22. As-0827

23. Us10208019, Example 1a-09

24. Us10208019, Example 4a-01

25. Ac-31472

26. Pf6882961

27. Pf06882961

28. Q63141738

29. 2-((4-(6-((4-cyano-2-fluorobenzyl)oxy)pyridin-2-yl)piperidin-1-yl)methyl)-1-((2s)-oxetan-2- Ylmethyl)-1h-benzimidazole-6-carboxylic Acid

30. 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2s)-oxetan-2-yl]methyl}-1h-1,3-benzodiazole-6-carboxylic Acid

31. 2-[[4-[6-[(4-cyano-2-fluoro-phenyl)methoxy]-2-pyridyl]-1-piperidyl]methyl]-3-[[(2s)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic Acid

32. 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-1-piperidinyl]methyl]-1-[(2s)-2-oxetanylmethyl]-1h-benzimidazole-6-carboxylic Acid

33. 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl]piperidin-1-yl]methyl]-3-[[(2s)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic Acid

34. 2-{[4-(6-{[(4-cyano-2-fluorophenyl)(methyl-d2)]oxy}pyridin-2-yl)piperidin-1-yl]methyl}-1-[(2s)-oxetan-2-ylmethyl]-1h-benzimidazole-6-carboxylic Acid

2.4 Create Date
2018-06-23
3 Chemical and Physical Properties
Molecular Weight 555.6 g/mol
Molecular Formula C31H30FN5O4
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area114
Heavy Atom Count41
Formal Charge0
Complexity941
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1