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Also known as: 2460722-04-5, 59mf6p2atf, Refchem:1093929, N-[(2s,3r)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-4,4-difluoro-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]ethanesulfonamide, Tak-861, Oveporexton [inn]

Molecular Formula

C₂₃H₂₅F₅N₂O₄S

Molecular Weight

520.5 g/mol

InChI Key

KVMGAIOTUIGROS-AZUAARDMSA-N

FDA UNII

59MF6P2ATF

Oveporexton is a small molecule drug. The usage of the INN stem '-orexton' in the name indicates that Oveporexton is a orexin receptor agonist. Oveporexton has a monoisotopic molecular weight of 520.15 Da.

1 2D Structure

Oveporexton

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(2S,3R)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-4,4-difluoro-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]ethanesulfonamide

2.1.2 InChI

InChI=1S/C23H25F5N2O4S/c1-4-35(33,34)29-20-18(30(12-23(20,27)28)21(31)22(2,3)32)10-13-6-5-7-17(19(13)26)14-8-15(24)11-16(25)9-14/h5-9,11,18,20,29,32H,4,10,12H2,1-3H3/t18-,20+/m0/s1

2.1.3 InChI Key

KVMGAIOTUIGROS-AZUAARDMSA-N

2.2 Other Identifiers

2.2.1 UNII

59MF6P2ATF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2460722-04-5

2. 59mf6p2atf

3. Refchem:1093929

4. N-[(2s,3r)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-4,4-difluoro-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]ethanesulfonamide

5. Tak-861

6. Oveporexton [inn]

7. Oveporexton (usan/inn)

8. Orb2695692

9. Orb2695697

10. Chembl6068065

11. Schembl22287319

12. Gtpl13513

13. Yqf2582

14. Kvmgaiotuigros-azuaardmsa-n

15. Ex-a11418

16. At46685

17. Example 3 [us20210276949]

18. D13223

19. Ethanesulfonamide, N-((2s,3r)-4,4-difluoro-1-(2-hydroxy-2-methyl-1-oxopropyl)-2-((2,3',5'-trifluoro(1,1'-biphenyl)-3-yl)methyl)-3-pyrrolidinyl)-

20. N-((2s,3r)-4,4-difluoro-1-(2-hydroxy-2-methylpropanoyl)-2-((2,3',5'-trifluoro-[1,1'-biphenyl]-3-yl)methyl)pyrrolidin-3-yl)ethanesulfonamide

21. N-[(2s,3r)-4,4-difluoro-1-(2-hydroxy-2-methyl-1-oxopropyl)-2-[(2,3 Inverted Exclamation Marka,5 Inverted Exclamation Marka-trifluoro[1,1 Inverted Exclamation Marka-biphenyl]-3-yl)methyl]-3-pyrrolidinyl]ethanesulfonamide

22. N-{(2s,3r)-4,4-difluoro-1-(2-hydroxy-2-methylpropanoyl)-2-[(2,3',5'-trifluoro-[1,1'-biphenyl]-3-yl)methyl]pyrrolidin-3-yl}ethane-1-sulfonamide

2.4 Create Date

2020-09-28

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₅F₅N₂O₄S
Molecular Weight	520.5 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	95.1
Heavy Atom Count	35
Formal Charge	0
Complexity	858
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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