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    CAS 503614-92-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 503614-92-4, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylic acid, Cid 22240440, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylic acid, Schembl5445803, Dtxsid70623725
    Molecular Formula
    C25H24N4O5
    Molecular Weight
    460.5  g/mol
    InChI Key
    PPUHOTDYJQGTAE-UHFFFAOYSA-N
    FDA UNII
    VKR3573LDM
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C25H24N4O5/c1-34-19-11-9-18(10-12-19)29-23-20(22(26-29)25(32)33)13-15-28(24(23)31)17-7-5-16(6-8-17)27-14-3-2-4-21(27)30/h5-12H,2-4,13-15H2,1H3,(H,32,33)
    2.1.3 InChI Key
    PPUHOTDYJQGTAE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    VKR3573LDM
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 503614-92-4

    2. 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylic Acid

    3. Cid 22240440

    4. 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid

    5. Schembl5445803

    6. Dtxsid70623725

    7. Bcp13323

    8. Cs-m2735

    9. Mfcd22376657

    10. Zinc81990581

    11. Akos015999674

    12. Da-18706

    13. Ds-17760

    14. Ft-0742544

    15. A854815

    16. 1-(4-methoxy-phenyl)-7-oxo-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid

    17. 1-(4-methoxy-phenyl)-7-oxo-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3carboxylic Acid

    18. 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylicacid

    19. 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyr

    20. 1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid,4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-

    21. Apixaban Impurity 41 Pound>>bms-591455-01 Pound>>1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid- 13c, D3

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 460.5 g/mol
    Molecular Formula C25H24N4O5
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area105
    Heavy Atom Count34
    Formal Charge0
    Complexity777
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1