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    Sebetralstat

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Sebetralstat [inn], Kvd900, Sebetralstat [usan], O5zd2tu2b7, Kvd-900, 1933514-13-6
    Molecular Formula
    C26H26FN5O4
    Molecular Weight
    491.5  g/mol
    InChI Key
    KGMPDQIYDKKXRD-UHFFFAOYSA-N
    FDA UNII
    O5ZD2TU2B7
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
    2.1.2 InChI
    InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)
    2.1.3 InChI Key
    KGMPDQIYDKKXRD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COCC1=NN(C=C1C(=O)NCC2=NC=CC(=C2F)OC)CC3=CC=C(C=C3)CN4C=CC=CC4=O
    2.2 Other Identifiers
    2.2.1 UNII
    O5ZD2TU2B7
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Sebetralstat [inn]

    2. Kvd900

    3. Sebetralstat [usan]

    4. O5zd2tu2b7

    5. Kvd-900

    6. 1933514-13-6

    7. Unii-o5zd2tu2b7

    8. Schembl17785421

    9. Bdbm408717

    10. Glxc-25706

    11. Ex-a6252

    12. Us10364238, Example 41

    13. Who 11529

    14. Hy-132830

    15. Cs-0204137

    16. 1h-pyrazole-4-carboxamide, N-((3-fluoro-4-methoxy-2-pyridinyl)methyl)-3-(methoxymethyl)-1-((4-((2-oxo-1(2h)-pyridinyl)methyl)phenyl)methyl)-

    17. 1h-pyrazole-4-carboxamide, N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-3-methoxymethyl)-1-[[4-[(2-oxo-1(2h)-pyridinyl)methyl]phenyl]methyl]-

    18. N-((3-fluoro-4-methoxy-2-pyridinyl)methyl)-3-(methoxymethyl)-1-((4-((2-oxo-1(2h)-pyridinyl)methyl)phenyl)methyl)-1h-pyrazole-4-carboxamide

    19. N-((3-fluoro-4-methoxypyridin-2-yl) Methyl)-3-(methoxymethyl)-1-((4-((2-oxo-1,2-dihydropyridin-1-yl) Methyl)phenyl)methyl)-1h-pyrazole-4-carboxamide

    20. N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin- 1-yl)methyl]phenyl}methyl)pyrazole-4-carboxamide

    21. N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1(2h)-yl)methyl]phenyl}methyl)-1h-pyrazol-4-carboxamide

    2.4 Create Date
    2016-08-06
    3 Chemical and Physical Properties
    Molecular Weight 491.5 g/mol
    Molecular Formula C26H26FN5O4
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count10
    Exact Mass491.19688249 g/mol
    Monoisotopic Mass491.19688249 g/mol
    Topological Polar Surface Area98.6 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity803
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1