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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

Leniolisib Phosphate

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 Formula	C₂₁H₂₈F₃N₆O₆P
Molecular Weight	548.5 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	161
Heavy Atom Count	37
Formal Charge	0
Complexity	703
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2