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    CAS 1350653-29-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2-[5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(e)-phenyldiazenyl]pyrimidine-4,6-diamine, 811-933-5, 1350653-29-0, 4,6-pyrimidinediamine, 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(1e)-2-phenyldiazenyl]-, (e)-2-(5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyrimidine-4,6-diamine, 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(1e)-2-phenyldiazenyl]-4,6-pyrimidinediamine
    Molecular Formula
    C23H17F2N9
    Molecular Weight
    457.4  g/mol
    InChI Key
    FGVPZKOMCCRZTI-UHFFFAOYSA-N
    FDA UNII
    NCX5S7ME44
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-5-phenyldiazenylpyrimidine-4,6-diamine
    2.1.2 InChI
    InChI=1S/C23H17F2N9/c24-14-10-16-18(33-34(23(16)28-11-14)12-13-6-4-5-9-17(13)25)22-29-20(26)19(21(27)30-22)32-31-15-7-2-1-3-8-15/h1-11H,12H2,(H4,26,27,29,30)
    2.1.3 InChI Key
    FGVPZKOMCCRZTI-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    NCX5S7ME44
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2-[5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(e)-phenyldiazenyl]pyrimidine-4,6-diamine

    2. 811-933-5

    3. 1350653-29-0

    4. 4,6-pyrimidinediamine, 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(1e)-2-phenyldiazenyl]-

    5. (e)-2-(5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3-yl)-5-(phenyldiazenyl)pyrimidine-4,6-diamine

    6. 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-[(1e)-2-phenyldiazenyl]-4,6-pyrimidinediamine

    7. 2-{5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl}-5-[(1e)-2-phenyldiazen-1-yl]pyrimidine-4,6-diamine

    8. Ncx5s7me44

    9. Schembl174889

    10. Schembl428374

    11. Fgvpzkomccrzti-qnejgdqosa-n

    12. Dtxsid001105756

    13. 2-[5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo [3,4-b]pyridin-3-yl]-5-[(e)-phenyldiazenyl]pyrimidine-4,6-diamine

    14. 2-[5-fluoro-1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridin-3 -yl]-5-[(e)-phenyldiazenyl]pyrimidine-4,6-diamine

    15. 2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl]-5-(2-phenyldiazenyl)-4,6-pyrimidinediamine

    2.4 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 457.4 g/mol
    Molecular Formula C23H17F2N9
    XLogP33.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area133
    Heavy Atom Count34
    Formal Charge0
    Complexity681
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1