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    Seralutinib

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: 1619931-27-9, Gb002, (s)-n-(3-(1-((6-(3,4-dimethoxyphenyl)pyrazin-2-yl)amino)ethyl)phenyl)-5-methylnicotinamide, Pk-10571, Seralutinib [usan], Gb-002
    Molecular Formula
    C27H27N5O3
    Molecular Weight
    469.5  g/mol
    InChI Key
    JHJNPOSPVGRIAN-SFHVURJKSA-N
    FDA UNII
    3P63ZTE3OY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[3-[(1S)-1-[[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C27H27N5O3/c1-17-10-21(14-28-13-17)27(33)31-22-7-5-6-19(11-22)18(2)30-26-16-29-15-23(32-26)20-8-9-24(34-3)25(12-20)35-4/h5-16,18H,1-4H3,(H,30,32)(H,31,33)/t18-/m0/s1
    2.1.3 InChI Key
    JHJNPOSPVGRIAN-SFHVURJKSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CN=C1)C(=O)NC2=CC=CC(=C2)C(C)NC3=NC(=CN=C3)C4=CC(=C(C=C4)OC)OC
    2.1.5 Isomeric SMILES
    CC1=CC(=CN=C1)C(=O)NC2=CC=CC(=C2)[C@H](C)NC3=NC(=CN=C3)C4=CC(=C(C=C4)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    3P63ZTE3OY
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1619931-27-9

    2. Gb002

    3. (s)-n-(3-(1-((6-(3,4-dimethoxyphenyl)pyrazin-2-yl)amino)ethyl)phenyl)-5-methylnicotinamide

    4. Pk-10571

    5. Seralutinib [usan]

    6. Gb-002

    7. 3p63zte3oy

    8. N-[3-[(1s)-1-[[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide

    9. 3-pyridinecarboxamide, N-(3-((1s)-1-((6-(3,4-dimethoxyphenyl)-2-pyrazinyl)amino)ethyl)phenyl)-5-methyl-

    10. Seralutinib [inn]

    11. Unii-3p63zte3oy

    12. Seralutinib [who-dd]

    13. Chembl4650333

    14. Schembl17324860

    15. Gtpl10618

    16. Ex-a5138

    17. Who 11243

    18. At11371

    19. Pk10571

    20. Structure 2a [wo2014110200a1]

    21. Hy-109190

    22. Cs-0116463

    23. N-(3-((1s)-1-((6-(3,4-dimethoxyphenyl)-2-pyrazinyl)amino)ethyl)phenyl)-5-methyl-3-pyridinecarboxamide

    2.4 Create Date
    2015-03-23
    3 Chemical and Physical Properties
    Molecular Weight 469.5 g/mol
    Molecular Formula C27H27N5O3
    XLogP33.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass469.21138974 g/mol
    Monoisotopic Mass469.21138974 g/mol
    Topological Polar Surface Area98.3 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity667
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1