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Also known as: Bms-986176, 1815613-42-3, Pilavapadin, Lx-9211, 9g4rlm5x6z, Lx9211

Molecular Formula

C₁₉H₂₃F₄N₃O

Molecular Weight

385.4 g/mol

InChI Key

RKAHOQATMSONTM-IBGZPJMESA-N

FDA UNII

9G4RLM5X6Z

1 2D Structure

Pilavapadin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-1-[2-(difluoromethyl)-6-[2-(difluoromethyl)pyridin-4-yl]pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine

2.1.2 InChI

InChI=1S/C19H23F4N3O/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21/h4-8,11,17-18H,9-10,24H2,1-3H3/t19-/m0/s1

2.1.3 InChI Key

RKAHOQATMSONTM-IBGZPJMESA-N

2.2 Other Identifiers

2.2.1 UNII

9G4RLM5X6Z

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Bms-986176

2. 1815613-42-3

3. Pilavapadin

4. Lx-9211

5. 9g4rlm5x6z

6. Lx9211

7. Unii-9g4rlm5x6z

8. Us10155760, Example 123

9. (2s)-1-((2',6-bis(difluoromethyl)(2,4'-bipyridin)-5-yl)oxy)-2,4-dimethyl-2-pentanamine

10. 2-pentanamine, 1-((2',6-bis(difluoromethyl)(2,4'-bipyridin)-5-yl)oxy)-2,4-dimethyl-, (2s)-

11. (2s)-1-[2-(difluoromethyl)-6-[2-(difluoromethyl)pyridin-4-yl]pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine

12. Pilavapadin [inn]

13. Chembl5089410

14. Schembl17143265

15. Gtpl11957

16. Rkahoqatmsontm-ibgzpjmesa-n

17. Bdbm311267

18. Glxc-25389

19. Ex-a5979

20. Bms986176

21. Akos040754879

22. At32629

23. Ms-26351

24. Hy-134829

25. Cs-0159550

26. (2s)-1-{[2',6-bis(difluoromethyl)[2,4'-bipyridin]-5-yl]oxy}-2,4-dimethylpentan-2-amine

27. (s)-1-((2',6-bis(difluoromethyl)-[2,4'-bipyridin]-5-yl)oxy)-2,4-dimethylpentan-2-amine

2.4 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₃F₄N₃O
Molecular Weight	385.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	61
Heavy Atom Count	27
Formal Charge	0
Complexity	455
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	1