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    Chemistry

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    Also known as: 2489430-53-5, Izicopan [inn], (2r,3s,5r)-2-(4-(cyclopentylamino)phenyl)-1-(2,6-difluorobenzoyl)-n-(4-methyl-3-(trifluoromethyl)phenyl)-5-(trifluoromethyl)piperidine-3-carboxamide, (2r,3s,5r)-2-[4-(cyclopentylamino)phenyl]-1-(2,6-difluorobenzoyl)-n-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)piperidine-3-carboxamide, Hq59w8utx9, Orb3136036
    Molecular Formula
    C33H31F8N3O2
    Molecular Weight
    653.6  g/mol
    InChI Key
    BPWYUCDDEBSUBZ-WMQVBLFHSA-N
    FDA UNII
    HQ59W8UTX9
    Izicopan
    1 2D Structure

    Izicopan

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,5R)-2-[4-(cyclopentylamino)phenyl]-1-(2,6-difluorobenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)piperidine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C33H31F8N3O2/c1-18-9-12-23(16-25(18)33(39,40)41)43-30(45)24-15-20(32(36,37)38)17-44(31(46)28-26(34)7-4-8-27(28)35)29(24)19-10-13-22(14-11-19)42-21-5-2-3-6-21/h4,7-14,16,20-21,24,29,42H,2-3,5-6,15,17H2,1H3,(H,43,45)/t20-,24+,29+/m1/s1
    2.1.3 InChI Key
    BPWYUCDDEBSUBZ-WMQVBLFHSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    HQ59W8UTX9
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2489430-53-5

    2. Izicopan [inn]

    3. (2r,3s,5r)-2-(4-(cyclopentylamino)phenyl)-1-(2,6-difluorobenzoyl)-n-(4-methyl-3-(trifluoromethyl)phenyl)-5-(trifluoromethyl)piperidine-3-carboxamide

    4. (2r,3s,5r)-2-[4-(cyclopentylamino)phenyl]-1-(2,6-difluorobenzoyl)-n-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)piperidine-3-carboxamide

    5. Hq59w8utx9

    6. Orb3136036

    7. Schembl22406100

    8. Schembl31022812

    9. Bpwyucddebsubz-wmqvblfhsa-n

    10. Bdbm520699

    11. Ex-a13611

    12. Us11149009, Compound Inf052

    13. Us11149009, Compound Inf067

    14. T211651

    15. 3-piperidinecarboxamide, 2-[4-(cyclopentylamino)phenyl]-1-(2,6-difluorobenzoyl)-n-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-, (2r,3s,5r)-

    2.4 Create Date
    2020-12-19
    3 Chemical and Physical Properties
    Molecular Weight 653.6 g/mol
    Molecular Formula C33H31F8N3O2
    XLogP38
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area61.4
    Heavy Atom Count46
    Formal Charge0
    Complexity1030
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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