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    Leniolisib Phosphate

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    2D Structure
    Also known as: 1354691-97-6, Leniolisib monophosphate, Joenja, Cdz173-az, 3700m1h39q, Cdz-173-az
    Molecular Formula
    C21H28F3N6O6P
    Molecular Weight
    548.5  g/mol
    InChI Key
    XXEDEGOAYSGNPS-ZOWNYOTGSA-N
    FDA UNII
    3700M1H39Q
    LENIOLISIB PHOSPHATE is a small molecule drug with a maximum clinical trial phase of IV (across all indications) that was first approved in 2023 and is indicated for inborn error of immunity and has 2 investigational indications.
    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;phosphoric acid
    2.1.2 InChI
    InChI=1S/C21H25F3N6O2.H3O4P/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;1-5(2,3)4/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28);(H3,1,2,3,4)/t13-;/m0./s1
    2.1.3 InChI Key
    XXEDEGOAYSGNPS-ZOWNYOTGSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    3700M1H39Q
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1354691-97-6

    2. Leniolisib Monophosphate

    3. Joenja

    4. Cdz173-az

    5. 3700m1h39q

    6. Cdz-173-az

    7. Unii-3700m1h39q

    8. Leniolisib (phosphate)

    9. 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)-, Phosphate (1:1)

    10. Cdz-173

    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;phosphoric Acid

    12. 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 Phosphate

    13. 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 Phosphate

    14. Joenja (tn)

    15. Leniolisib Phosphate [who-dd]

    16. Chembl3989909

    17. Schembl15789519

    18. Chebi:229650

    19. Leniolisib Phosphate (jan/usan)

    20. Xxedegoaysgnps-zownyotgsa-n

    21. Leniolisib Phosphate [usan]

    22. Hy-17635a

    23. Akos040758719

    24. Da-74950

    25. Cs-0069337

    26. D11159

    27. Q27256604

    28. (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 Phosphate

    29. 1-[(3s)-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 Phosphate

    30. Phosphoric Acid--1-[(3s)-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 (1/1)

    2.3.2 Other Synonyms

    1. Leniolisib

    2.4 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 548.5 g/mol
    Molecular Formula C21H28F3N6O6P
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area161
    Heavy Atom Count37
    Formal Charge0
    Complexity703
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2