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    Leniolisib

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    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 1354690-24-6, Cdz173, Leniolisib [inn], Leniolisib free base, Cdz173 free base, Cdz-173 free base
    Molecular Formula
    C21H25F3N6O2
    Molecular Weight
    450.5  g/mol
    InChI Key
    MWKYMZXCGYXLPL-ZDUSSCGKSA-N
    FDA UNII
    L22772Z9CP
    Leniolisib is under investigation in clinical trial NCT02435173 (Study of Efficacy of CDZ173 in Patients With APDS/PASLI).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
    2.1.2 InChI
    InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1
    2.1.3 InChI Key
    MWKYMZXCGYXLPL-ZDUSSCGKSA-N
    2.1.4 Canonical SMILES
    CCC(=O)N1CCC(C1)NC2=NC=NC3=C2CN(CC3)C4=CC(=C(N=C4)OC)C(F)(F)F
    2.1.5 Isomeric SMILES
    CCC(=O)N1CC[C@@H](C1)NC2=NC=NC3=C2CN(CC3)C4=CC(=C(N=C4)OC)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    L22772Z9CP
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cdz173

    2.3.2 Depositor-Supplied Synonyms

    1. 1354690-24-6

    2. Cdz173

    3. Leniolisib [inn]

    4. Leniolisib Free Base

    5. Cdz173 Free Base

    6. Cdz-173 Free Base

    7. Cdz173-nx

    8. Cdz-173-nx

    9. (s)-1-(3-((6-(6-methoxy-5-(trifluoromethyl)pyridin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino)pyrrolidin-1-yl)propan-1-one

    10. L22772z9cp

    11. 1-[(3s)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5h-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one

    12. Cdz-173

    13. 1-propanone, 1-((3s)-3-((5,6,7,8-tetrahydro-6-(6-methoxy-5-(trifluoromethyl)-3-pyridinyl)pyrido(4,3-d)pyrimidin-4-yl)amino)-1-pyrrolidinyl)-

    14. Leniolisib (cdz173)

    15. Leniolisib; Cdz173

    16. Leniolisib (usan/inn)

    17. Leniolisib [usan]

    18. Leniolisib [who-dd]

    19. Schembl323054

    20. Unii-l22772z9cp

    21. Gtpl9424

    22. Chembl3643413

    23. Bdbm118299

    24. Glxc-25777

    25. Ex-a2854

    26. Mfcd30470232

    27. S8752

    28. Zb1510

    29. Cs-7524

    30. Dc22326

    31. Example 67 [wo2012004299]

    32. 1-{(s)-3-[6-(6-methoxy-5-trifluoromethyl-pyridin-3-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-y

    33. 1-{(s)-3-[6-(6-methoxy-5-trifluoromethyl-pyridin-3-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-ylamino]-pyrrolidin-1-yl}-propan-1-one

    34. Ac-35599

    35. As-56217

    36. Hy-17635

    37. A16796

    38. D11158

    39. Us8653092, 67

    40. Q27282602

    41. 1-((3s)-3-((6-(6-methoxy-5-(trifluoromethyl)pyrimidin-3-yl)-5,6,7,8-tetrahydropyrido(4,3-d)pyrimidin-4-yl)amino)pyrrolidin-1-yl)propan-1-one

    42. 9nq

    2.4 Create Date
    2012-08-08
    3 Chemical and Physical Properties
    Molecular Weight 450.5 g/mol
    Molecular Formula C21H25F3N6O2
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count5
    Exact Mass450.19910855 g/mol
    Monoisotopic Mass450.19910855 g/mol
    Topological Polar Surface Area83.5 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity654
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1