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    Chemistry

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    Also known as: 2200336-20-3, Onradivir [inn], Cze6g5g466, (2s,3s)-3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)pyrimidin-4-yl)amino)bicyclo(2.2.2)octane-2-carboxylic acid, (2s,3s)-3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinyl)amino)bicyclo(2.2.2)octane-2-carboxylic acid, Bicyclo(2.2.2)octane-2-carboxylic acid, 3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinyl)amino)-, (2s,3s)-
    Molecular Formula
    C22H22F2N6O2
    Molecular Weight
    440.4  g/mol
    InChI Key
    JCHDJLSIYWBAHI-ZWHBIUKWSA-N
    FDA UNII
    CZE6G5G466
    Onradivir
    ONRADIVIR is a small molecule drug with a maximum clinical trial phase of II and has 1 investigational indication.
    1 2D Structure

    Onradivir

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3S)-3-[[6-cyclopropyl-5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C22H22F2N6O2/c23-12-7-13-18(29-30-19(13)25-8-12)21-27-17(11-5-6-11)15(24)20(28-21)26-16-10-3-1-9(2-4-10)14(16)22(31)32/h7-11,14,16H,1-6H2,(H,31,32)(H,25,29,30)(H,26,27,28)/t9?,10?,14-,16-/m0/s1
    2.1.3 InChI Key
    JCHDJLSIYWBAHI-ZWHBIUKWSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    CZE6G5G466
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2200336-20-3

    2. Onradivir [inn]

    3. Cze6g5g466

    4. (2s,3s)-3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)pyrimidin-4-yl)amino)bicyclo(2.2.2)octane-2-carboxylic Acid

    5. (2s,3s)-3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinyl)amino)bicyclo(2.2.2)octane-2-carboxylic Acid

    6. Bicyclo(2.2.2)octane-2-carboxylic Acid, 3-((6-cyclopropyl-5-fluoro-2-(5-fluoro-1h-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinyl)amino)-, (2s,3s)-

    7. Refchem:168306

    8. Unii-cze6g5g466

    9. Chembl5095075

    10. Schembl21128398

    11. Glxc-26953

    12. Ex-a12514

    13. (2s,3s)-3-[[6-cyclopropyl-5-fluoro-2-(5-fluoro-2h-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic Acid

    14. Da-66347

    15. Hy-145586

    16. Cs-0376485

    2.4 Create Date
    2019-07-20
    3 Chemical and Physical Properties
    Molecular Weight 440.4 g/mol
    Molecular Formula C22H22F2N6O2
    XLogP33.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area117
    Heavy Atom Count32
    Formal Charge0
    Complexity721
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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