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    Aleniglipron

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Z6xcl6r9sx, 2685823-26-9, Refchem:1076327, Aleniglipron [inn], Orb2664969, Schembl23748580
    Molecular Formula
    C49H55FN9O6P
    Molecular Weight
    916.0  g/mol
    InChI Key
    CPOJUYUGONJVPZ-WIXASUBBSA-N
    FDA UNII
    Z6XCL6R9SX
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(1S,2S)-1-[2-[(4S)-3-[3-[4-diethylphosphoryl-3-(methylamino)phenyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one
    2.1.2 InChI
    InChI=1S/C49H55FN9O6P/c1-8-66(63,9-2)41-13-11-35(26-38(41)51-7)56-18-19-57(48(56)62)44-42-31(6)55(17-14-37(42)53-59(44)36-22-28(3)43(50)29(4)23-36)45(60)40-25-34-24-33(32-15-20-64-21-16-32)10-12-39(34)58(40)49(27-30(49)5)46-52-47(61)65-54-46/h10-13,18-19,22-26,30-32,51H,8-9,14-17,20-21,27H2,1-7H3,(H,52,54,61)/t30-,31-,49-/m0/s1
    2.1.3 InChI Key
    CPOJUYUGONJVPZ-WIXASUBBSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    Z6XCL6R9SX
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Z6xcl6r9sx

    2. 2685823-26-9

    3. Refchem:1076327

    4. Aleniglipron [inn]

    5. Orb2664969

    6. Schembl23748580

    7. Schembl29981727

    8. Ex-a15126

    9. 1,2,4-oxadiazol-5(2h)-one, 3-[(1s,2s)-1-[2-[[(4s)-3-[3-[4-(diethylphosphinyl)-3-(methylamino)phenyl]-2,3-dihydro-2-oxo-1h-imidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-5h-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-(tetrahydro-2h-pyran-4-yl)-1h-indol-1-yl]-2-methylcyclopropyl]-

    10. 3-((1s,2s)-1-(2-((s)-3-(3-(4-(diethylphosphoryl)-3-(methylamino)phenyl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2h-pyrazolo[4,3-c]pyridine-5-carbonyl)-5-(tetrahydro-2h-pyran-4-yl)-1h-indol-1-yl )-2-methylcyclopropyl)-1,2,4-oxadiazol-5(4h)-one

    11. 3-[(1s,2s)-1-[2-[[(4s)-3-[3-[4-(diethylphosphinyl)-3-(methylamino)phenyl]-2,3-dihydro-2-oxo-1h-imidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-5h-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-(tetrahydro-2h-pyran-4-yl)-1h-indol-1-yl]-2-methylcyclopropyl]-1,2,4-oxadiazol-5(2h)-one

    2.4 Create Date
    2022-08-27
    3 Chemical and Physical Properties
    Molecular Weight 916.0 g/mol
    Molecular Formula C49H55FN9O6P
    XLogP36.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count11
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area156
    Heavy Atom Count66
    Formal Charge0
    Complexity1950
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1