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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: Ganaplacide, 1261113-96-5, Kaf-156, Kaf156, Gnf 156, Gnf-156

Molecular Formula

C₂₂H₂₃F₂N₅O

Molecular Weight

411.4 g/mol

InChI Key

BUPRVECGWBHCQV-UHFFFAOYSA-N

FDA UNII

85VMN9JU7A

Ganaplacide is under investigation in clinical trial NCT03167242 (Efficacy and Safety of KAF156 in Combination With LUM-SDF in Adults and Children With Uncomplicated Plasmodium Falciparum Malaria).

1 2D Structure

Ganaplacide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone

2.1.2 InChI

InChI=1S/C22H23F2N5O/c1-22(2)21-27-19(14-3-5-15(23)6-4-14)20(26-17-9-7-16(24)8-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3

2.1.3 InChI Key

BUPRVECGWBHCQV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(C2=NC(=C(N2CCN1C(=O)CN)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C

2.2 Other Identifiers

2.2.1 UNII

85VMN9JU7A

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8h)-yl)ethanone

2. Ganaplacide

3. Kaf156

2.3.2 Depositor-Supplied Synonyms

1. Ganaplacide

2. 1261113-96-5

3. Kaf-156

4. Kaf156

5. Gnf 156

6. Gnf-156

7. Kaf 156

8. 85vmn9ju7a

9. Chembl2058833

10. 2-amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8h)-yl)ethanone

11. 2-amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)ethanone

12. 2-amino-1-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone

13. Ethanone, 2-amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8h)-yl)-

14. Ganaplacide [inn]

15. Unii-85vmn9ju7a

16. Ganaplacide [who-dd]

17. Gnf156

18. Gtpl9946

19. Schembl1047381

20. Tqr0232

21. Dtxsid701105307

22. Bcp21186

23. Ex-a6670

24. Bdbm50388532

25. Mfcd28502124

26. Akos030629999

27. Sb17068

28. As-49356

29. H11185

30. A856033

31. Q28209255

32. Kaf 156; Kaf156; Gnf-156; Gnf156; Gnf 156; Ganaplacide

2.4 Create Date

2011-02-14

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₃F₂N₅O
Molecular Weight	411.4 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	76.2
Heavy Atom Count	30
Formal Charge	0
Complexity	604
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