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    CAS 2212022-55-2

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    2D Structure
    Also known as: 2212022-55-2, Orforglipron impurity 3, Tert-butyl (s)-3-(3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxylate, Q83yk4bx3y, Schembl20015362, Schembl30944772
    Molecular Formula
    C31H33F2N7O3
    Molecular Weight
    589.6  g/mol
    InChI Key
    ZSFBDHLLSBONMH-IBGZPJMESA-N
    FDA UNII
    Q83YK4BX3Y
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl (4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
    2.1.2 InChI
    InChI=1S/C31H33F2N7O3/c1-17-14-20(15-18(2)26(17)32)40-28(25-19(3)37(11-10-22(25)35-40)30(42)43-31(4,5)6)39-13-12-38(29(39)41)24-9-8-23-21(27(24)33)16-34-36(23)7/h8-9,12-16,19H,10-11H2,1-7H3/t19-/m0/s1
    2.1.3 InChI Key
    ZSFBDHLLSBONMH-IBGZPJMESA-N
    2.2 Other Identifiers
    2.2.1 UNII
    Q83YK4BX3Y
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2212022-55-2

    2. Orforglipron Impurity 3

    3. Tert-butyl (s)-3-(3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridine-5-carboxylate

    4. Q83yk4bx3y

    5. Schembl20015362

    6. Schembl30944772

    7. Schembl30944773

    8. 5h-pyrazolo[4,3-c]pyridine-5-carboxylic Acid, 2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2,3-dihydro-2-oxo-1h-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-, 1,1-dimethylethyl Ester, (4s)-

    9. H60333

    10. 1,1-dimethylethyl (4s)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2,3-dihydro-2-oxo-1h-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-5h-pyrazolo[4,3-c]pyridine-5-carboxylate

    11. Tert-butyl (4s)-3-(3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-2h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine-5-carboxylate

    2.4 Create Date
    2018-06-23
    3 Chemical and Physical Properties
    Molecular Weight 589.6 g/mol
    Molecular Formula C31H33F2N7O3
    XLogP34.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area88.7
    Heavy Atom Count43
    Formal Charge0
    Complexity1090
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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