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    CAS 1297537-33-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5-acetyl-n-((1s)-2-(3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl)-1-methylethyl)-1h-pyrazole-3-carboxamide, 5-acetyl-n-[(1s)-2-[3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl]-1-methylethyl]-1h-pyrazole-3-carboxamide, 941-760-1, Orm-15341, 1297537-33-7, Ketodarolutamide
    Molecular Formula
    C19H17ClN6O2
    Molecular Weight
    396.8  g/mol
    InChI Key
    GMBPVBVTPBWIKC-NSHDSACASA-N
    FDA UNII
    9EPS75QMTL
    Ketodarolutamide, a nonsteroidal antiandrogen (NSAA), is the major active metabolite of [darolutamide].
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-acetyl-N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide
    2.1.2 InChI
    InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1
    2.1.3 InChI Key
    GMBPVBVTPBWIKC-NSHDSACASA-N
    2.2 Other Identifiers
    2.2.1 UNII
    9EPS75QMTL
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5-acetyl-n-((1s)-2-(3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl)-1-methylethyl)-1h-pyrazole-3-carboxamide

    2. 5-acetyl-n-[(1s)-2-[3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl]-1-methylethyl]-1h-pyrazole-3-carboxamide

    3. 941-760-1

    4. Orm-15341

    5. 1297537-33-7

    6. Ketodarolutamide

    7. 9eps75qmtl

    8. 3-acetyl-n-[(2s)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1h-pyrazole-5-carboxamide

    9. 1h-pyrazole-3-carboxamide, 5-acetyl-n-((1s)-2-(3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl)-1-methylethyl)-

    10. (s)-3-acetyl-n-(1-(3-(3-chloro-4-cyanophenyl)-1h-pyrazol-1-yl)propan-2-yl)-1h-pyrazole-5-carboxamide

    11. Gmbpvbvtpbwikc-nshdsacasa-n

    12. 5-acetyl-n-[(2s)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2h-pyrazole-3-carboxamide

    13. Cs-5191

    14. Keto-darolutamide

    15. Unii-9eps75qmtl

    16. Schembl1815556

    17. Chembl4524159

    18. Orm-15341(ketodarolutamide)?

    19. Dtxsid101111196

    20. Ex-a3189

    21. Xbc53733

    22. Zb1629

    23. Akos030526386

    24. Ncgc00485475-01

    25. Ac-36362

    26. Da-66367

    27. Hy-19337

    28. Ms-26697

    29. F85313

    30. Q27272459

    31. (s)-3-acetyl-n-(1-(3-(3-chloro-4-cyano-phenyl)-1h-pyrazol-1-yl)propan-2-yl)-1h-pyrazole-5-carboxamide

    2.4 Create Date
    2011-06-06
    3 Chemical and Physical Properties
    Molecular Weight 396.8 g/mol
    Molecular Formula C19H17ClN6O2
    XLogP32.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area116
    Heavy Atom Count28
    Formal Charge0
    Complexity637
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1