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    Naperiglipron

    DEVELOPMENTS

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    2D Structure
    Also known as: Naperiglipron (usan), Ly3549492, Ly-3549492, Naperiglipron [usan], 2572566-11-9, Bjn78tt46s
    Molecular Formula
    C33H26F2N4O4
    Molecular Weight
    580.6  g/mol
    InChI Key
    QZQFEJHDNYVBKL-DEOSSOPVSA-N
    FDA UNII
    BJN78TT46S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
    2.1.2 InChI
    InChI=1S/C33H26F2N4O4/c1-19-11-23(14-31-37-29-8-7-21(33(40)41)13-30(29)39(31)17-24-9-10-42-24)27(35)15-25(19)28-3-2-4-32(38-28)43-18-22-6-5-20(16-36)12-26(22)34/h2-8,11-13,15,24H,9-10,14,17-18H2,1H3,(H,40,41)/t24-/m0/s1
    2.1.3 InChI Key
    QZQFEJHDNYVBKL-DEOSSOPVSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    BJN78TT46S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Naperiglipron (usan)

    2. Ly3549492

    3. Ly-3549492

    4. Naperiglipron [usan]

    5. 2572566-11-9

    6. Bjn78tt46s

    7. Chembl5944135

    8. Schembl22830391

    9. Schembl29562181

    10. Gtpl14175

    11. Yqf2518

    12. Us11655242, Example 2

    13. Bdbm603919

    14. Example 2 [wo2020263695]

    15. D13181

    16. 1h-benzimidazole-6-carboxylic Acid, 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphenyl]methyl]-1-[(2s)-2-oxetanylmethyl]-

    17. 2-[[4-[6-[(4-cyano-2-fluoro-phenyl)methoxy]-2-pyridyl]-2-fluoro-5-methyl-phenyl]methyl]-3-[[(2s)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic Acid

    18. 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluoro-5-methylphenyl]methyl]-1-[(2s)-2-oxetanylmethyl]-1h-benzimidazole-6-carboxylic Acid

    19. 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridyl]-2-fluoro-5-methylphenyl]methyl]-3-[[(2s)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic Acid

    20. 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl]-2-fluoro-5-methylphenyl]methyl]-3-[[(2s)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic Acid

    2.4 Create Date
    2021-01-30
    3 Chemical and Physical Properties
    Molecular Weight 580.6 g/mol
    Molecular Formula C33H26F2N4O4
    XLogP35.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count9
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area110
    Heavy Atom Count43
    Formal Charge0
    Complexity1010
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1