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    Chemistry

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    Also known as: Elecoglipron [inn], G94jj74n5y, Schembl25054448, 1,2,4-oxadiazol-5(2h)-one, 3-[1-[2-[[(4s)-2-(3-cyclopropyl-4-fluorophenyl)-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]pyridin-5-yl]carbonyl]-7-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-3-indolizinyl]cyclopropyl]-, 3011682-49-5
    Molecular Formula
    C48H46F2N10O5
    Molecular Weight
    880.9  g/mol
    InChI Key
    JMKBTILBGROESC-WNJJXGMVSA-N
    FDA UNII
    G94JJ74N5Y
    Elecoglipron
    1 2D Structure

    Elecoglipron

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-7-[(4S)-2,2-dimethyloxan-4-yl]indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one
    2.1.2 InChI
    InChI=1S/C48H46F2N10O5/c1-26-39-36(53-60(30-7-8-35(49)32(22-30)27-5-6-27)42(39)59-19-18-58(46(59)63)38-10-9-37-34(40(38)50)25-51-55(37)4)12-17-56(26)43(61)33-23-31-21-28(29-13-20-64-47(2,3)24-29)11-16-57(31)41(33)48(14-15-48)44-52-45(62)65-54-44/h7-11,16,18-19,21-23,25-27,29H,5-6,12-15,17,20,24H2,1-4H3,(H,52,54,62)/t26-,29-/m0/s1
    2.1.3 InChI Key
    JMKBTILBGROESC-WNJJXGMVSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    G94JJ74N5Y
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Elecoglipron [inn]

    2. G94jj74n5y

    3. Schembl25054448

    4. 1,2,4-oxadiazol-5(2h)-one, 3-[1-[2-[[(4s)-2-(3-cyclopropyl-4-fluorophenyl)-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]pyridin-5-yl]carbonyl]-7-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-3-indolizinyl]cyclopropyl]-

    5. 3011682-49-5

    2.4 Create Date
    2024-02-03
    3 Chemical and Physical Properties
    Molecular Weight 880.9 g/mol
    Molecular Formula C48H46F2N10O5
    XLogP36.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count8
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area144
    Heavy Atom Count65
    Formal Charge0
    Complexity1970
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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