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    Chemistry

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    Also known as: 2212021-79-7, 5-((4s)-2,2-dimethyloxan-4-yl)-n-methyl-n-phenyl-1h-indole-2-carboxamide, 5-[(4s)-2,2-dimethyloxan-4-yl]-n-methyl-n-phenyl-1h-indole-2-carboxamide, Orforglipron impurity 1, N-methyl-n-phenyl-5-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-1h-indole-2-carboxamide, Y325gzu2l4
    Molecular Formula
    C23H26N2O2
    Molecular Weight
    362.5  g/mol
    InChI Key
    QVAFKQGZWRFOAC-KRWDZBQOSA-N
    FDA UNII
    Y325GZU2L4
    CAS 2212021-79-7
    1 2D Structure

    CAS 2212021-79-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[(4S)-2,2-dimethyloxan-4-yl]-N-methyl-N-phenyl-1H-indole-2-carboxamide
    2.1.2 InChI
    InChI=1S/C23H26N2O2/c1-23(2)15-17(11-12-27-23)16-9-10-20-18(13-16)14-21(24-20)22(26)25(3)19-7-5-4-6-8-19/h4-10,13-14,17,24H,11-12,15H2,1-3H3/t17-/m0/s1
    2.1.3 InChI Key
    QVAFKQGZWRFOAC-KRWDZBQOSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    Y325GZU2L4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2212021-79-7

    2. 5-((4s)-2,2-dimethyloxan-4-yl)-n-methyl-n-phenyl-1h-indole-2-carboxamide

    3. 5-[(4s)-2,2-dimethyloxan-4-yl]-n-methyl-n-phenyl-1h-indole-2-carboxamide

    4. Orforglipron Impurity 1

    5. N-methyl-n-phenyl-5-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-1h-indole-2-carboxamide

    6. Y325gzu2l4

    7. Schembl21175333

    8. Mfcd35453069

    9. At47108

    10. 1h-indole-2-carboxamide, N-methyl-n-phenyl-5-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-

    2.4 Create Date
    2019-11-02
    3 Chemical and Physical Properties
    Molecular Weight 362.5 g/mol
    Molecular Formula C23H26N2O2
    XLogP34.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area45.3
    Heavy Atom Count27
    Formal Charge0
    Complexity528
    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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