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    Ocinaplon

    PharmaCompass
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    2D Structure
    Also known as: 96604-21-6, Pyridin-2-yl(7-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)methanone, Pyridin-2-yl-[7-pyridin-4-yl-pyrazole[1,5-a]pyrimidin-3-yl]methanone, Pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone, Cl-273547, 2h6kvc5e76
    Molecular Formula
    C17H11N5O
    Molecular Weight
    301.30  g/mol
    InChI Key
    OQJFBUOFGHPMSR-UHFFFAOYSA-N
    FDA UNII
    2H6KVC5E76
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
    2.1.2 InChI
    InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H
    2.1.3 InChI Key
    OQJFBUOFGHPMSR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=NC(=C1)C(=O)C2=C3N=CC=C(N3N=C2)C4=CC=NC=C4
    2.2 Other Identifiers
    2.2.1 UNII
    2H6KVC5E76
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 96604-21-6

    2. Pyridin-2-yl(7-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)methanone

    3. Pyridin-2-yl-[7-pyridin-4-yl-pyrazole[1,5-a]pyrimidin-3-yl]methanone

    4. Pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

    5. Cl-273547

    6. 2h6kvc5e76

    7. Cl 273,547

    8. 2-pyridyl 7-(4-pyridyl)pyrazolo(1,5-a)pyrimidin-3-yl Ketone

    9. 2-pyridinyl(7-(4-pyridinyl)pyrazolo(1,5-a)pyrimidin-3-yl)methanone

    10. Methanone, 2-pyridinyl(7-(4-pyridinyl)pyrazolo(1,5-a)pyrimidin-3-yl)-

    11. Methanone, 2-pyri(dinyl(7-(4-pyridinyl)pyrazolo(1,5-a)pyrimidin-3-yl)-

    12. Ocinaplon [usan:inn]

    13. Methanone, 2-pyridinyl[7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-

    14. Cl 273547

    15. Ocinaplon (usan/inn)

    16. Unii-2h6kvc5e76

    17. 2-pyridinyl[7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

    18. Ocinaplon [inn]

    19. Ocinaplon [usan]

    20. Schembl122652

    21. Gtpl4277

    22. Zinc5014

    23. Chembl2105199

    24. Dtxsid00242362

    25. Wda60421

    26. Akos024458146

    27. Cs-w001692

    28. Db06529

    29. Hy-w001692

    30. Ncgc00370957-01

    31. As-72567

    32. Ft-0762986

    33. D02617

    34. Q2013712

    35. 4-[3-(pyridine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyridine

    36. 4-{3-[(pyridin-2-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-7-yl}pyridine

    37. Methanone,2-pyridinyl[7-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]-

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 301.30 g/mol
    Molecular Formula C17H11N5O
    XLogP31.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass301.09635999 g/mol
    Monoisotopic Mass301.09635999 g/mol
    Topological Polar Surface Area73 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity425
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in anxiety disorders.