1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5R)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one

2.1.2 InChI

InChI=1S/C21H13Cl3F3N5O3/c22-12-5-16(34-10-1-2-17(33)28-6-10)13(23)4-11(12)18-30-20(35-31-18)15-8-32-7-9(21(25,26)27)3-14(24)19(32)29-15/h3-5,7-8,10H,1-2,6H2,(H,28,33)/t10-/m1/s1

2.1.3 InChI Key

HNRWGYDMTRPLCQ-SNVBAGLBSA-N

2.2 Other Identifiers

2.2.1 UNII

K02SHW3KV9

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Vtx-002

2. 2097854-81-2

3. Vtx002

4. Opl-002

5. K02shw3kv9

6. Refchem:1099390

7. (5r)-5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one

8. Tamuzimod [inn]

9. Tamuzimod (usan/inn)

10. Tamuzimod [usan]

11. Orb1982659

12. Chembl5314488

13. Schembl18869627

14. Schembl30275258

15. Hnrwgydmtrplcq-snvbaglbsa-n

16. Glxc-27924

17. Da-78185

18. Hy-148801

19. Cs-0641186

20. D12897

21. (5r)-5-(2,5-dichloro-4-{5-[8-chloro-6- (trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4- Oxadiazol-3-yl}phenoxy)piperidin-2-one

22. 2-piperidinone, 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-

2.4 Create Date

2017-08-04

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₁₃Cl₃F₃N₅O₃
Molecular Weight	546.7 g/mol
XLogP3	5.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	94.6
Heavy Atom Count	35
Formal Charge	0
Complexity	786
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

Tamuzimod

Tamuzimod

ACCESS ALL DATA

Browse all information

CHEMISTRY

Discover Molecule Insights

Filters