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    BI 764198

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2311863-36-0, 3gki6rvi0v, (4-(6-aminopyridazin-3-yl)piperidin-1-yl)(5-(4-fluorophenoxy)-4-methoxypyridin-2-yl)methanone, Methanone, (4-(6-amino-3-pyridazinyl)-1-piperidinyl)(5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl)-, [4-(6-amino-3-pyridazinyl)-1-piperidinyl][5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone, Methanone, [4-(6-amino-3-pyridazinyl)-1-piperidinyl][5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-
    Molecular Formula
    C22H22FN5O3
    Molecular Weight
    423.4  g/mol
    InChI Key
    JUALOUHZJJERQT-UHFFFAOYSA-N
    FDA UNII
    3GKI6RVI0V
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone
    2.1.2 InChI
    InChI=1S/C22H22FN5O3/c1-30-19-12-18(25-13-20(19)31-16-4-2-15(23)3-5-16)22(29)28-10-8-14(9-11-28)17-6-7-21(24)27-26-17/h2-7,12-14H,8-11H2,1H3,(H2,24,27)
    2.1.3 InChI Key
    JUALOUHZJJERQT-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    3GKI6RVI0V
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2311863-36-0

    2. 3gki6rvi0v

    3. (4-(6-aminopyridazin-3-yl)piperidin-1-yl)(5-(4-fluorophenoxy)-4-methoxypyridin-2-yl)methanone

    4. Methanone, (4-(6-amino-3-pyridazinyl)-1-piperidinyl)(5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl)-

    5. [4-(6-amino-3-pyridazinyl)-1-piperidinyl][5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]methanone

    6. Methanone, [4-(6-amino-3-pyridazinyl)-1-piperidinyl][5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-

    7. Refchem:196495

    8. Bi 764198

    9. Trpc6-in-3

    10. Unii-3gki6rvi0v

    11. Apecotrep

    12. Apecotrep [inn]

    13. Orb1687769

    14. Schembl21045769

    15. Schembl30386116

    16. Bdbm466601

    17. Us10800757, Compound 17

    18. Da-78662

    19. Ms-27435

    20. Hy-148129

    21. Cs-0613218

    22. [4-(6-amino-pyridazin-3-yl)- Piperidin-1-yl]-[5-(4-fluoro-phenoxy)- 4-methoxy-pyridin-2-yl]-methanone

    23. [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(4-fluorophenoxy)-4-methoxypyridin-2-yl]methanone

    2.4 Create Date
    2019-07-20
    3 Chemical and Physical Properties
    Molecular Weight 423.4 g/mol
    Molecular Formula C22H22FN5O3
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area103
    Heavy Atom Count31
    Formal Charge0
    Complexity583
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1