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    Omarigliptin

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 1226781-44-7, Mk-3102, Mk3102, (2r,3s,5r)-2-(2,5-difluorophenyl)-5-(2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(2h,4h,6h)-yl)tetrahydro-2h-pyran-3-amine, Cvp59q4je1, Unii-cvp59q4je1
    Molecular Formula
    C17H20F2N4O3S
    Molecular Weight
    398.4  g/mol
    InChI Key
    MKMPWKUAHLTIBJ-ISTRZQFTSA-N
    FDA UNII
    CVP59Q4JE1
    Omarigliptin has been used in trials studying the treatment of Type 2 Diabetes Mellitus and Chronic Renal Insufficiency.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
    2.1.2 InChI
    InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
    2.1.3 InChI Key
    MKMPWKUAHLTIBJ-ISTRZQFTSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)N1C=C2CN(CC2=N1)C3CC(C(OC3)C4=C(C=CC(=C4)F)F)N
    2.1.5 Isomeric SMILES
    CS(=O)(=O)N1C=C2CN(CC2=N1)[C@@H]3C[C@@H]([C@H](OC3)C4=C(C=CC(=C4)F)F)N
    2.2 Other Identifiers
    2.2.1 UNII
    CVP59Q4JE1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(2,5-difluorophenyl)-5-(2-(methylsulfonyl)-2,6-dihydropyrrolo(3,4-c)pyrazol-5(4h)-yl)tetrahydro-2h-pyran-3-amine

    2. Mk-3102

    2.3.2 Depositor-Supplied Synonyms

    1. 1226781-44-7

    2. Mk-3102

    3. Mk3102

    4. (2r,3s,5r)-2-(2,5-difluorophenyl)-5-(2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(2h,4h,6h)-yl)tetrahydro-2h-pyran-3-amine

    5. Cvp59q4je1

    6. Unii-cvp59q4je1

    7. (2r,3s,5r)-2-(2,5-difluorophenyl)-5-(2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4h)-yl)tetrahydro-2h-pyran-3-amine

    8. (2r,3s,5r)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4h)-yl]tetrahydro-2h-pyran-3-amine

    9. 2h-pyran-3-amine, 2-(2,5-difluorophenyl)-5-(2,6-dihydro-2-(methylsulfonyl)pyrrolo(3,4-c)pyrazol-5(4h)-yl)tetrahydro-,(2r,3s,5r)-

    10. (2r,3s,5r)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine

    11. Omarigliptin [usan]

    12. Omarigliptin [usan:inn]

    13. Omarigliptin [mi]

    14. Omarigliptin [inn]

    15. Omarigliptin [jan]

    16. Omarigliptin (mk-3102)

    17. Omarigliptin [who-dd]

    18. Schembl827590

    19. Ambz0104

    20. Gtpl8402

    21. Omarigliptin (jan/usan/inn)

    22. Chembl2105762

    23. Dtxsid70153678

    24. Ex-a395

    25. Chebi:134735

    26. Bdbm50003020

    27. Mfcd22573261

    28. Nsc802900

    29. S8565

    30. Zinc84758480

    31. Akos025289528

    32. Am85511

    33. Ccg-268634

    34. Cs-3948

    35. Db11992

    36. Ds-7574

    37. Nsc-802900

    38. Pb39113

    39. Ncgc00480770-01

    40. (2r,3s,5r)-2-(2,5-difluorophenyl)-5-(2-(methanesulfonyl)-2,6-dihydropyrrolo(3,4- C)pyrazol-5(4h)-yl)oxan-3-amine

    41. (2r,3s,5r)-2-(2,5-difluorophenyl)-5-(2-(methylsulfonyl)-2,6-dihydropyrrolo(3,4- C)pyrazol-5(4h)-yl)tetrahydro-2h-pyran-3-amine

    42. 2h-pyran-3-amine, 2-(2,5-difluorophenyl)-5-(2,6-dihydro-2-(methylsulfonyl)pyrrolo(3,4- C)pyrazol-5(4h)-yl)tetrahydro-, (2r,3s,5r)-

    43. Ac-28992

    44. Hy-15981

    45. D10317

    46. L10002

    47. J-690074

    48. Q21098979

    49. (2r,3s,5r)-2-(2,5-difluorophenyl)-5[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4h)-yl]tetrahydro-2h-pyran-3-amine

    50. 2h-pyran-3-amine, 2-(2,5-difluorophenyl)-5-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4h)-yl]tetrahydro-, (2r,3s,5r)-

    2.4 Create Date
    2010-07-06
    3 Chemical and Physical Properties
    Molecular Weight 398.4 g/mol
    Molecular Formula C17H20F2N4O3S
    XLogP30.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count3
    Exact Mass398.12241801 g/mol
    Monoisotopic Mass398.12241801 g/mol
    Topological Polar Surface Area98.8 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity649
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1