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    Povorcitinib

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Povorcitinib [inn], N0jwc7ro00, (s)-4-(3-(cyanomethyl)-3-(3',5'-dimethyl-1h,1'h-(4,4'-bipyrazol)-1-yl)azetidin-1-yl)-2,5-difluoro-n-(1,1,1-trifluoropropan-2-yl)benzamide, 1637677-22-5, 4-(3-(cyanomethyl)-3-(3',5'-dimethyl-1h,1'h-4,4'-bipyrazol-1-yl)azetidin-1-yl)-2,5-difluoro-n-((1s)-2,2,2-trifluoro-1-methylethyl)benzamide, 4-[3-(cyanomethyl)-3-(3',5'-dimethyl-1h,1'h-4,4'-bipyrazol-1-yl) azetidin-1-yl]-2,5-difluoro-n-[(1s)-2,2,2-trifluoro-1-methylethyl]benzamide
    Molecular Formula
    C23H22F5N7O
    Molecular Weight
    507.5  g/mol
    InChI Key
    MSGYSFWCPOBHEV-AWEZNQCLSA-N
    FDA UNII
    N0JWC7RO00
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[3-(cyanomethyl)-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazol-1-yl]azetidin-1-yl]-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
    2.1.2 InChI
    InChI=1S/C23H22F5N7O/c1-12-20(13(2)33-32-12)15-8-30-35(9-15)22(4-5-29)10-34(11-22)19-7-17(24)16(6-18(19)25)21(36)31-14(3)23(26,27)28/h6-9,14H,4,10-11H2,1-3H3,(H,31,36)(H,32,33)/t14-/m0/s1
    2.1.3 InChI Key
    MSGYSFWCPOBHEV-AWEZNQCLSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=NN1)C)C2=CN(N=C2)C3(CN(C3)C4=C(C=C(C(=C4)F)C(=O)NC(C)C(F)(F)F)F)CC#N
    2.1.5 Isomeric SMILES
    CC1=C(C(=NN1)C)C2=CN(N=C2)C3(CN(C3)C4=C(C=C(C(=C4)F)C(=O)N[C@@H](C)C(F)(F)F)F)CC#N
    2.2 Other Identifiers
    2.2.1 UNII
    N0JWC7RO00
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Povorcitinib [inn]

    2. N0jwc7ro00

    3. (s)-4-(3-(cyanomethyl)-3-(3',5'-dimethyl-1h,1'h-(4,4'-bipyrazol)-1-yl)azetidin-1-yl)-2,5-difluoro-n-(1,1,1-trifluoropropan-2-yl)benzamide

    4. 1637677-22-5

    5. 4-(3-(cyanomethyl)-3-(3',5'-dimethyl-1h,1'h-4,4'-bipyrazol-1-yl)azetidin-1-yl)-2,5-difluoro-n-((1s)-2,2,2-trifluoro-1-methylethyl)benzamide

    6. 4-[3-(cyanomethyl)-3-(3',5'-dimethyl-1h,1'h-4,4'-bipyrazol-1-yl) Azetidin-1-yl]-2,5-difluoro-n-[(1s)-2,2,2-trifluoro-1-methylethyl]benzamide

    7. Benzamide, 4-(3-(cyanomethyl)-3-(3',5'-dimethyl(4,4'-bi-1h-pyrazol)-1-yl)-1-azetidinyl)-2,5-difluoro-n-((1s)-2,2,2-trifluoro-1-methylethyl)-

    8. 4-[3-(cyanomethyl)-3-(3',5'-dimethyl-1h,1'h-4,4'-bipyrazol-1-yl)azetidin-1-yl]-2,5-difluoro-n-[(1s)-2,2,2-trifluoro-1-methylethyl]benzamide

    9. Unii-n0jwc7ro00

    10. Schembl16240136

    11. Gtpl11881

    12. Compound 7 [us20210238168a1]

    13. Hy-145588

    14. Cs-0376529

    15. 4-[3-(cyanomethyl)-3-[4-(3,5-dimethyl-1h-pyrazol-4-yl)pyrazol-1-yl]azetidin-1-yl]-2,5-difluoro-n-[(2s)-1,1,1-trifluoropropan-2-yl]benzamide

    2.4 Create Date
    2014-12-08
    3 Chemical and Physical Properties
    Molecular Weight 507.5 g/mol
    Molecular Formula C23H22F5N7O
    XLogP33.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count6
    Exact Mass507.18059916 g/mol
    Monoisotopic Mass507.18059916 g/mol
    Topological Polar Surface Area103 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity860
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1