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    Frevecitinib

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    2D Structure
    Also known as: 1299417-07-4, Frevecitinibum, Frevecitinib [inn], Schembl1693955, Gtpl13206, Example 7i [us8501735]
    Molecular Formula
    C22H21N7O2
    Molecular Weight
    415.4  g/mol
    InChI Key
    ASOKEXGIQLZRHH-HNNXBMFYSA-N
    FDA UNII
    5N5L287M8T
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(3S)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-3-oxopropanenitrile
    2.1.2 InChI
    InChI=1S/C22H21N7O2/c1-26-19-8-7-17(16-13-24-28-12-3-2-6-18(16)28)25-21(19)29(22(26)31)15-5-4-11-27(14-15)20(30)9-10-23/h2-3,6-8,12-13,15H,4-5,9,11,14H2,1H3/t15-/m0/s1
    2.1.3 InChI Key
    ASOKEXGIQLZRHH-HNNXBMFYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    5N5L287M8T
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1299417-07-4

    2. Frevecitinibum

    3. Frevecitinib [inn]

    4. Schembl1693955

    5. Gtpl13206

    6. Example 7i [us8501735]

    7. 5n5l287m8t

    8. Hy-159536

    9. D12993

    10. (3s)-3-(1,2-dihydro-1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-yl-3h-imidazo[4,5-b]pyridin-3-yl)-beta-oxo-1-piperidinepropanenitrile

    11. 1-piperidinepropanenitrile, 3-(1,2-dihydro-1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-yl-3h-imidazo[4,5-b]pyridin-3-yl)-beta-oxo-, (3s)-

    12. 3-[(3s)-3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-3-oxopropanenitrile

    13. 3-{(3s)-3-[1-methyl-2-oxo-5-(pyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydro-3h-imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl}-3-oxopropanenitrile

    2.4 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 415.4 g/mol
    Molecular Formula C22H21N7O2
    XLogP30.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area97.8
    Heavy Atom Count31
    Formal Charge0
    Complexity766
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1