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    Envudeucitinib

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    2D Structure
    Also known as: Kd2mdj4gab, 2417135-66-9, N-(4-(2-methoxy-3-(1-(trideuteriomethyl)-1,2,4-triazol-3-yl)anilino)-5-(3,3,3-trideuteriopropanoyl)pyridin-2-yl)cyclopropanecarboxamide, N-[4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-5-(3,3,3-trideuteriopropanoyl)pyridin-2-yl]cyclopropanecarboxamide, Refchem:1084119, Envudeucitinibum
    Molecular Formula
    C22H24N6O3
    Molecular Weight
    426.5  g/mol
    InChI Key
    FKCATCQHVCOBCX-WFGJKAKNSA-N
    FDA UNII
    KD2MDJ4GAB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
    2.1.2 InChI
    InChI=1S/C22H24N6O3/c1-4-18(29)15-11-23-19(26-22(30)13-8-9-13)10-17(15)25-16-7-5-6-14(20(16)31-3)21-24-12-28(2)27-21/h5-7,10-13H,4,8-9H2,1-3H3,(H2,23,25,26,30)/i1D3,2D3
    2.1.3 InChI Key
    FKCATCQHVCOBCX-WFGJKAKNSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    KD2MDJ4GAB
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Kd2mdj4gab

    2. 2417135-66-9

    3. N-(4-(2-methoxy-3-(1-(trideuteriomethyl)-1,2,4-triazol-3-yl)anilino)-5-(3,3,3-trideuteriopropanoyl)pyridin-2-yl)cyclopropanecarboxamide

    4. N-[4-[2-methoxy-3-[1-(trideuteriomethyl)-1,2,4-triazol-3-yl]anilino]-5-(3,3,3-trideuteriopropanoyl)pyridin-2-yl]cyclopropanecarboxamide

    5. Refchem:1084119

    6. Envudeucitinibum

    7. Envudeucitinib [inn]

    8. Envudeucitinib (usan/inn)

    9. Envudeucitinib [usan]

    10. Chembl5415395

    11. Schembl30697049

    12. Gtpl13205

    13. Esk-001

    14. Ftp-637

    15. Yqf2513

    16. Bdbm756380

    17. Ex-a15179

    18. Us12351572, Example 195

    19. Hy-153701s

    20. D13123

    21. Cyclopropanecarboxamide, N-[4-[[2-methoxy-3-[1-(methyl-d3)-1h-1,2,4-triazol-3-yl]phenyl]amino]-5-(1-oxopropyl-3,3,3-d3)-2-pyridinyl]-

    22. N-(4-((2-methoxy-3-(1-(methyl-d3)-1h-1,2,4-triazol-3-yl)phenyl)amino)-5-(propanoyl-3,3,3-d3)pyridin-2-yl)cyclopropanecarboxamide

    23. N-[4-[[2-methoxy-3-[1-(methyl-d3)-1h-1,2,4-triazol-3-yl]phenyl]amino]-5-(1-oxopropyl-3,3,3-d3)-2-pyridinyl]cyclopropanecarboxamide

    2.4 Create Date
    2021-12-03
    3 Chemical and Physical Properties
    Molecular Weight 426.5 g/mol
    Molecular Formula C22H24N6O3
    XLogP32.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area111
    Heavy Atom Count31
    Formal Charge0
    Complexity645
    Isotope Atom Count6
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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