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    FTX-6058

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Ftx-6058, Pociredir [inn], Bc2ssv7wmt, Unii-bc2ssv7wmt, Schembl22445333, Gtpl11523
    Molecular Formula
    C22H18FN5O2
    Molecular Weight
    403.4  g/mol
    InChI Key
    JQBUTSBIFNKJMW-CYBMUJFWSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (15R)-21-fluoro-10-(2-methylpyridin-3-yl)-13,17-dioxa-3,5,7,8-tetrazapentacyclo[13.6.1.04,12.05,9.018,22]docosa-1(21),4(12),6,8,10,18(22),19-heptaene
    2.1.2 InChI
    InChI=1S/C22H18FN5O2/c1-12-14(3-2-6-24-12)15-7-19-22(28-11-26-27-21(15)28)25-8-16-17(23)4-5-18-20(16)13(9-29-18)10-30-19/h2-7,11,13,25H,8-10H2,1H3/t13-/m1/s1
    2.1.3 InChI Key
    JQBUTSBIFNKJMW-CYBMUJFWSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC=N1)C2=CC3=C(NCC4=C(C=CC5=C4C(CO5)CO3)F)N6C2=NN=C6
    2.1.5 Isomeric SMILES
    CC1=C(C=CC=N1)C2=CC3=C(NCC4=C(C=CC5=C4[C@H](CO5)CO3)F)N6C2=NN=C6
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Ftx-6058

    2. Pociredir [inn]

    3. Bc2ssv7wmt

    4. Unii-bc2ssv7wmt

    5. Schembl22445333

    6. Gtpl11523

    7. Ftx6058

    8. Hy-139400b

    9. Example 90 [wo2020190754]

    10. Hy-139400

    11. Cs-0200366

    12. Cs-0564166

    13. (7ar)-12-fluoro-4-(2-methylpyridin-3-yl)-7a,8,13,14-tetrahydro-7h-furo(4,3,2-gh)(1,2,4)triazolo(4',3':1,6)pyrido(2,3-c)(5,2)benzoxazonine

    14. 2490674-02-5

    15. 7h-furo(4,3,2-gh)(1,2,4)triazolo(4',3':1,6)pyrido(2,3-c)(5,2)benzoxazonine, 12-fluoro-7a,8,13,14-tetrahydro-4-(2-methyl-3-pyridinyl)-, (7ar)-

    2.3 Create Date
    2020-12-19
    3 Chemical and Physical Properties
    Molecular Weight 403.4 g/mol
    Molecular Formula C22H18FN5O2
    XLogP33.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count1
    Exact Mass403.14445300 g/mol
    Monoisotopic Mass403.14445300 g/mol
    Topological Polar Surface Area73.6 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity628
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1