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    Chemistry

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    Also known as: 1948242-59-8, A4v35p6kws, (3r)-3-[3-amino-4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile, (3r)-3-(3-amino-4-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)pyrazol-1-yl)-3-cyclopentylpropanenitrile, Refchem:1098160, Rovadicitinib [inn]
    Molecular Formula
    C17H19N7
    Molecular Weight
    321.4  g/mol
    InChI Key
    ZGENDZDSLYKCSI-CQSZACIVSA-N
    FDA UNII
    A4V35P6KWS
    Rovadicitinib
    ROVADICITINIB is a small molecule drug with a maximum clinical trial phase of II and has 1 investigational indication.
    1 2D Structure

    Rovadicitinib

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R)-3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile
    2.1.2 InChI
    InChI=1S/C17H19N7/c18-7-5-14(11-3-1-2-4-11)24-9-13(16(19)23-24)15-12-6-8-20-17(12)22-10-21-15/h6,8-11,14H,1-5H2,(H2,19,23)(H,20,21,22)/t14-/m1/s1
    2.1.3 InChI Key
    ZGENDZDSLYKCSI-CQSZACIVSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    A4V35P6KWS
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1948242-59-8

    2. A4v35p6kws

    3. (3r)-3-[3-amino-4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanenitrile

    4. (3r)-3-(3-amino-4-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)pyrazol-1-yl)-3-cyclopentylpropanenitrile

    5. Refchem:1098160

    6. Rovadicitinib [inn]

    7. Chembl5314485

    8. Schembl17858699

    9. Gtpl12384

    10. Us10561657, Example 5

    11. Bdbm433327

    12. Glxc-27915

    13. Example 5 [us10561657b2]

    14. Da-77542

    15. Hy-148798

    16. Cs-0641156

    17. (3r)-3-[3-amino-4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h- Pyrazol-1-yl]-3-cyclopentylpropanenitrile

    18. (betar)-3-amino-beta-cyclopentyl-4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazole-1-propanenitrile

    19. 1h-pyrazole-1-propanenitrile, 3-amino-beta-cyclopentyl-4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-, (betar)-

    2.4 Create Date
    2016-08-06
    3 Chemical and Physical Properties
    Molecular Weight 321.4 g/mol
    Molecular Formula C17H19N7
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area109
    Heavy Atom Count24
    Formal Charge0
    Complexity483
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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