1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine

2.1.2 InChI

InChI=1S/C16H10F4N6/c17-10-4-2-1-3-9(10)7-11-14-21-5-6-26(14)8-12(22-11)13-23-15(25-24-13)16(18,19)20/h1-6,8H,7H2,(H,23,24,25)

2.1.3 InChI Key

GTKNNCQKFKGSHR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)CC2=NC(=CN3C2=NC=C3)C4=NNC(=N4)C(F)(F)F)F

2.2 Other Identifiers

2.2.1 UNII

H7KEN3O8AI

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Zagociguat [inn]

2. H7ken3o8ai

3. 2201048-82-8

4. Imidazo(1,2-a)pyrazine, 8-((2-fluorophenyl)methyl)-6-(5-(trifluoromethyl)-1h-1,2,4-triazol-3-yl)-

5. Imidazo[1,2-a]pyrazine, 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1h-1,2,4-triazol-3-yl]-

6. Unii-h7ken3o8ai

7. Zagociguat [usan]

8. Schembl19922804

9. Cy6463

10. Cy-6463

11. Iw-6463

12. Hy-145607

13. Cs-0376702

14. 8-(2-fluorobenzyl)-6-(3-(trifluoromethyl)-1h-1,2,4-triazol-5-yl)imidazo(1,2-a)pyrazine

15. 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1h-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine

16. 8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine

2.4 Create Date

2018-06-23

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₀F₄N₆
Molecular Weight	362.28 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	71.8
Heavy Atom Count	26
Formal Charge	0
Complexity	492
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

Zagociguat