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    Ilunocitinib

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1187594-14-4, Ilunocitinib [usan], Ly3411067, N3tb5ah8b9, Ly-3411067, 2-[1-cyclopropylsulfonyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
    Molecular Formula
    C17H17N7O2S
    Molecular Weight
    383.4  g/mol
    InChI Key
    RVOUEXFKIYNODQ-UHFFFAOYSA-N
    FDA UNII
    N3TB5AH8B9
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[1-cyclopropylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
    2.1.2 InChI
    InChI=1S/C17H17N7O2S/c18-5-4-17(9-23(10-17)27(25,26)13-1-2-13)24-8-12(7-22-24)15-14-3-6-19-16(14)21-11-20-15/h3,6-8,11,13H,1-2,4,9-10H2,(H,19,20,21)
    2.1.3 InChI Key
    RVOUEXFKIYNODQ-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    N3TB5AH8B9
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1187594-14-4

    2. Ilunocitinib [usan]

    3. Ly3411067

    4. N3tb5ah8b9

    5. Ly-3411067

    6. 2-[1-cyclopropylsulfonyl-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile

    7. Ilunocitinib [inn]

    8. 3-azetidineacetonitrile, 1-(cyclopropylsulfonyl)-3-(4-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)-1h-pyrazol-1-yl)-

    9. 1-(cyclopropylsulfonyl)-3-(4-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)-1h-pyrazol-1-yl)-3-azetidineacetonitrile

    10. 2-(1-cyclopropylsulfonyl-3-(4-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)pyrazol-1-yl)azetidin-3-yl)acetonitrile

    11. Refchem:147900

    12. Unii-n3tb5ah8b9

    13. Who 11894

    14. (1-(cyclopropanesulfonyl)-3-(4-(7h-pyrrolo(2,3-d)pyrimidin-4-yl)-1h-pyrazol-1-yl)azetidin-3-yl)acetonitrile

    15. 2-(3-(4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl)-1-(cyclopropylsulfonyl)azetidin-3-yl)acetonitrile

    16. Schembl870650

    17. Orb2704076

    18. Orb2944228

    19. Chembl4802241

    20. Schembl29577031

    21. Gtpl11670

    22. Rvouexfkiynodq-uhfffaoysa-n

    23. Ex-a9647

    24. Akos040756527

    25. Da-74442

    26. Ms-26294

    27. Hy-132819

    28. Cs-0204093

    29. G18507

    30. (1-(cyclopropylsulfonyl)-3-(4-(1,5,7-triaza-1h-inden-4-yl)-1-pyrazolyl)-3-azetidinyl)acetonitrile

    2.4 Create Date
    2009-10-19
    3 Chemical and Physical Properties
    Molecular Weight 383.4 g/mol
    Molecular Formula C17H17N7O2S
    XLogP3-0.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area129
    Heavy Atom Count27
    Formal Charge0
    Complexity734
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1