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    Technical details about Danuglipron, learn more about the structure, uses, toxicity, action, side effects and more

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    Danuglipron

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    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