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Chemistry

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Also known as: 872363-17-2, Adx48621, Dipraglurant [inn], Adx-48621, Cv8jzr21a1, Chembl2346738

Molecular Formula

C₁₆H₁₂FN₃

Molecular Weight

265.28 g/mol

InChI Key

LZXMUJCJAWVHPZ-UHFFFAOYSA-N

FDA UNII

CV8JZR21A1

Dipraglurant has been used in trials studying the treatment of Parkinson's Disease. It is a metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator (NAM).

1 2D Structure

Dipraglurant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-fluoro-2-(4-pyridin-2-ylbut-3-ynyl)imidazo[1,2-a]pyridine

2.1.2 InChI

InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2

2.1.3 InChI Key

LZXMUJCJAWVHPZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=NC(=C1)C#CCCC2=CN3C=C(C=CC3=N2)F

2.2 Other Identifiers

2.2.1 UNII

CV8JZR21A1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 6-fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo(1,2-a)pyridine

2.3.2 Depositor-Supplied Synonyms

1. 872363-17-2

2. Adx48621

3. Dipraglurant [inn]

4. Adx-48621

5. Cv8jzr21a1

6. Chembl2346738

7. 6-fluoro-2-[4-(pyridin-2-yl)-3-butynyl]imidazo[1,2-a]pyridine

8. 6-fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo(1,2-a)pyridine

9. 6-fluoro-2-(4-pyridin-2-ylbut-3-ynyl)imidazo[1,2-a]pyridine

10. 6-fluoro-2-[4-(2-pyridinyl)-3-butyn-1-yl]imidazo[1,2-a]pyridine

11. Unii-cv8jzr21a1

12. 6-fluoro-2-(4-(pyridin-2-yl)but-3-yn-1-yl)imidazo[1,2-a]pyridine

13. Schembl103033

14. Gtpl6452

15. Dtxsid90236230

16. Bcp23706

17. 6-fluoro-2-[4-(2-pyridinyl)-3-butyn-1-yl]-imidazo[1,2-a]pyridine

18. Bdbm50431705

19. Zinc72266314

20. Cs-0690

21. Db12733

22. Sb16993

23. Ncgc00351745-02

24. Hy-14859

25. Db-076892

26. Ft-0705373

27. J3.560.334d

28. A916694

29. Adx 48621;adx48621;adx-48621

30. Q19596938

31. 2-(4-{6-fluoroimidazo[1,2-a]pyridin-2-yl}but-1-yn-1-yl)pyridine

2.4 Create Date

2010-01-25

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₂FN₃
Molecular Weight	265.28 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	265.10152556 g/mol
Monoisotopic Mass	265.10152556 g/mol
Topological Polar Surface Area	30.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	386
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