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    Balipodect

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    2D Structure
    Also known as: 1238697-26-1, Tak-063, 1-(2-fluoro-4-(1h-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one, 6650w303h0, 1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-1,4-dihydropyridazin-4-one, 1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one
    Molecular Formula
    C23H17FN6O2
    Molecular Weight
    428.4  g/mol
    InChI Key
    KVHRYLNQDWXAGI-UHFFFAOYSA-N
    FDA UNII
    6650W303H0
    an inhibitor of phosphodiesterase 10A; structure in first source
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
    2.1.2 InChI
    InChI=1S/C23H17FN6O2/c1-32-21-15-29(19-9-8-17(14-18(19)24)28-13-5-11-25-28)27-22(23(21)31)20-10-12-26-30(20)16-6-3-2-4-7-16/h2-15H,1H3
    2.1.3 InChI Key
    KVHRYLNQDWXAGI-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    6650W303H0
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(2-fluoro-4-(1h-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one

    2. Tak-063

    2.3.2 Depositor-Supplied Synonyms

    1. 1238697-26-1

    2. Tak-063

    3. 1-(2-fluoro-4-(1h-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one

    4. 6650w303h0

    5. 1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-1,4-dihydropyridazin-4-one

    6. 1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one

    7. 4(1h)-pyridazinone, 1-(2-fluoro-4-(1h-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-

    8. Balipodectum

    9. 1-(2-fluoro-4-(1h-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-1,4-dihydropyridazin-4-one

    10. Refchem:916695

    11. Balipodect [inn]

    12. Balipodect [usan]

    13. Balipodect [who-dd]

    14. 1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

    15. C23h17fn6o2

    16. 3wym

    17. Tak 063

    18. Mfcd28385852

    19. Balipodect (usan/inn)

    20. Schembl518714

    21. Orb1307553

    22. Tak063

    23. Chembl3989972

    24. Schembl30123098

    25. Ex-a568

    26. Balipodect [usan:inn:who-dd]

    27. Kvhrylnqdwxagi-uhfffaoysa-n

    28. Dtxsid601384576

    29. Glxc-07545

    30. Hms3886p10

    31. Unii-6650w303h0

    32. Tak-063?

    33. S8459

    34. Akos026750192

    35. Ccg-268978

    36. Cs-3551

    37. Db14774

    38. Sb17000

    39. Ncgc00390654-01

    40. Ac-32915

    41. Bs-15045

    42. Da-46880

    43. Hy-12472

    44. D11245

    45. Brd-k57155378-001-01-1

    46. Q27453873

    47. 1-(2-fluoro-4-pyrazol-1-yl-phenyl)-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

    48. 1-(2-fluoro-4-(1h-pyrazol-1-yl)phenyl)-5-methoxy- 3-(1-phenyl-1h-pyrazol-5-yl)pyridazin-4(1h)-one

    49. 1-[2-fluoro-4-(1h-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1h-pyrazol-5-yl)-pyridazin-4(1h)-one

    50. 3k9

    2.4 Create Date
    2010-08-23
    3 Chemical and Physical Properties
    Molecular Weight 428.4 g/mol
    Molecular Formula C23H17FN6O2
    XLogP33.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area77.5
    Heavy Atom Count32
    Formal Charge0
    Complexity755
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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