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    CAS 43200-82-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 43200-82-4, 6-(5-chloropyridin-2-yl)-5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione, 6-(5-chloropyridin-2-yl)pyrrolo[3,4-b]pyrazine-5,7-dione, 6-(5-chloro-2-pyridyl)-5h-pyrrolo(3,4-b)pyrazine-5,7(6h)-dione, 5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione, 6-(5-chloro-2-pyridinyl)-, Einecs 256-141-5
    Molecular Formula
    C11H5ClN4O2
    Molecular Weight
    260.63  g/mol
    InChI Key
    FFXYIKCDZBXDNR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(5-chloropyridin-2-yl)pyrrolo[3,4-b]pyrazine-5,7-dione
    2.1.2 InChI
    InChI=1S/C11H5ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5H
    2.1.3 InChI Key
    FFXYIKCDZBXDNR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=NC=C1Cl)N2C(=O)C3=NC=CN=C3C2=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 43200-82-4

    2. 6-(5-chloropyridin-2-yl)-5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione

    3. 6-(5-chloropyridin-2-yl)pyrrolo[3,4-b]pyrazine-5,7-dione

    4. 6-(5-chloro-2-pyridyl)-5h-pyrrolo(3,4-b)pyrazine-5,7(6h)-dione

    5. 5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione, 6-(5-chloro-2-pyridinyl)-

    6. Einecs 256-141-5

    7. 6-(5-chloropyridin-2-yl)- 6,7-dihydro-5h-pyrrolo[3,4-b]pyrazin-5,7-dione

    8. Schembl2990476

    9. Dtxsid20195785

    10. Bcp08879

    11. Mfcd00298149

    12. Zinc16948424

    13. Akos015909566

    14. Ac-7876

    15. As-17505

    16. Cs-0332295

    17. Ft-0654186

    18. D78029

    19. 200c824

    20. A826217

    21. J-518035

    22. 6-(5-chloro-2-pyridinyl)-5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione

    23. 6-(5-chloropyrid-2-yl)-5,7-dioxo-5,6-dihydropyrrolo[3,4-b] Pyrazine

    24. 6-(5-chloropyrid-2-yl)-5,7-dioxo-5,6-dihydropyrrolo[3,4-b]pyrazine

    25. 6-(5-chloropyridin-2-yl)-5,7-dioxo-5,6-dihydropyrrolo-[3,4-b]-pyrazine

    26. 6-(5-chloro-2-pyridyl)pyrrolo[3,4-b]pyrazine-5,7-dione;6-(5-chloro-2-pyridyl)-5h-pyrrolo[3,4-b]pyrazine-5,7(6h)-dione

    2.3 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 260.63 g/mol
    Molecular Formula C11H5ClN4O2
    XLogP30.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area76
    Heavy Atom Count18
    Formal Charge0
    Complexity354
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1