1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

10-[(6-aminopyridin-2-yl)methyl]-7-methyl-4-(1H-pyrazol-5-ylmethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one

2.1.2 InChI

InChI=1S/C18H16N8OS/c1-25-15-12(16-17(25)23-14(28-16)7-10-5-6-20-24-10)8-21-26(18(15)27)9-11-3-2-4-13(19)22-11/h2-6,8H,7,9H2,1H3,(H2,19,22)(H,20,24)

2.1.3 InChI Key

DIUOELXIXSCFCR-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

ORG4KGP5ZS

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Pkr Activator 2

2. 2283422-04-6

3. 6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1h-pyrazol-3-yl)methyl]-4,6-dihydro-5h-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one

4. Tebapivat [inn]

5. Org4kgp5zs

6. Chembl5314542

7. Schembl20745826

8. Gtpl13106

9. Ag946

10. Ag-946

11. Akos040735026

12. At44159

13. Compound 27 [pmid: 38109501]

14. Hy-135884

15. Cs-0115951

16. Hvi

2.4 Create Date

2019-03-16

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₆N₈OS
Molecular Weight	392.4 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	146
Heavy Atom Count	28
Formal Charge	0
Complexity	635
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

Tebapivat