1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine

2.1.2 InChI

InChI=1S/C16H12F6N4O2/c1-2-28-16(21,22)14-25-24-12-4-3-9(7-26(12)14)10-5-11(17)13(23-6-10)27-8-15(18,19)20/h3-7H,2,8H2,1H3

2.1.3 InChI Key

VOANOFDZGYTEPX-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

QU3C48T4NV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2392951-18-5

2. Qu3c48t4nv

3. Refchem:1101026

4. 3-(ethoxydifluoromethyl)-6-(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine

5. Vormatrigine [inn]

6. Orb2695223

7. Orb2695761

8. Schembl23116256

9. Voanofdzgytepx-uhfffaoysa-n

10. Ex-a10103

11. H42218

12. 1,2,4-triazolo[4,3-a]pyridine, 3-(ethoxydifluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-

13. 3-(ethoxydifluoromethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2,4-triazolo[4,3-a]pyridine

14. 3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

2.4 Create Date

2020-08-13

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₂F₆N₄O₂
Molecular Weight	406.28 g/mol
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	61.5
Heavy Atom Count	28
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Vormatrigine