Padsevonil

Synopsis, Chemistry

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Also known as: 1294000-61-5, Padsevonil [inn], Padsevonil [usan], Ucb0942, Ucb-0942, Ucb1415943-000

Molecular Formula

C₁₄H₁₄ClF₅N₄O₂S

Molecular Weight

432.8 g/mol

InChI Key

DCXFIOLWWRXEQH-SSDOTTSWSA-N

FDA UNII

0R1HN52K0N

Padsevonil is under investigation in clinical trial NCT03695094 (A Study in Participants With Epilepsy, to Evaluate the Pharmacokinetics, Safety and Tolerability of Oxcarbazepine on Padsevonil).

1 2D Structure

Padsevonil

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one

2.1.2 InChI

InChI=1S/C14H14ClF5N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3/t7-/m1/s1

2.1.3 InChI Key

DCXFIOLWWRXEQH-SSDOTTSWSA-N

2.1.4 Canonical SMILES

COCC1=NN2C(=C(N=C2S1)C(F)(F)F)CN3CC(CC3=O)CC(F)(F)Cl

2.1.5 Isomeric SMILES

COCC1=NN2C(=C(N=C2S1)C(F)(F)F)CN3C[C@H](CC3=O)CC(F)(F)Cl

2.2 Other Identifiers

2.2.1 UNII

0R1HN52K0N

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (4r)-4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazol-5-yl)methyl)-2-pyrrolidinone

2. 2-pyrrolidinone, 4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl)methyl)-, (4r)-

2.3.2 Depositor-Supplied Synonyms

1. 1294000-61-5

2. Padsevonil [inn]

3. Padsevonil [usan]

4. Ucb0942

5. Ucb-0942

6. Ucb1415943-000

7. 0r1hn52k0n

8. Ucb-1415943-000

9. (4r)-4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazol-5-yl)methyl)pyrrolidin-2-one

10. (4r)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one

11. 2-pyrrolidinone, 4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)-1,3,4-thiadiazol-5-yl)methyl)-, (4r)-

12. Padsevonil [jan]

13. Padsevonil (jan/usan)

14. Padsevonil [who-dd]

15. Unii-0r1hn52k0n

16. Schembl1672843

17. Chembl4297521

18. Ex-a5541

19. Who 10384

20. Db14977

21. Hy-109009

22. Cs-0030507

23. D11842

24. Q27237119

25. (4r)-4-(2-chloro-2,2-difluoroethyl)-1-((2-(methoxymethyl)-6-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazol-5-yl)methyl)-2-pyrrolidinone

2.4 Create Date

2011-05-23

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₄ClF₅N₄O₂S
Molecular Weight	432.8 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	432.0446154 g/mol
Monoisotopic Mass	432.0446154 g/mol
Topological Polar Surface Area	88 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	572
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