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Also known as: Lorecivivint, 1467093-03-3, Sm04690, Lorecivivint [usan], N-(5-(3-(7-(3-fluorophenyl)-3h-imidazo[4,5-c]pyridin-2-yl)-1h-indazol-5-yl)pyridin-3-yl)-3-methylbutanamide, Adavivint (sm04690)

Molecular Formula

C₂₉H₂₄FN₇O

Molecular Weight

505.5 g/mol

InChI Key

AQDWDWAYVBQMAM-UHFFFAOYSA-N

FDA UNII

42EK42WHI5

Lorecivivint is under investigation in clinical trial NCT03246399 (A Study of the Safety, Tolerability, and Pharmacokinetics of SM04690 Injectable Suspension Following Single Intradiscal Injection in Subjects With Degenerative Disc Disease).

1 2D Structure

Lorecivivint

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-yl]-3-methylbutanamide

2.1.2 InChI

InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)

2.1.3 InChI Key

AQDWDWAYVBQMAM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC3=C(C=C2)NN=C3C4=NC5=C(N4)C=NC=C5C6=CC(=CC=C6)F

2.2 Other Identifiers

2.2.1 UNII

42EK42WHI5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Lorecivivint

2. N-(5-((3z)-3-(7-(3-fluorophenyl)imidazo(4,5-c)pyridin-2-ylidene)-1,2-dihydroindazol-5-yl)pyridin-3-yl)-3-methylbutanamide

3. Sm-04690

4. Sm04690

2.3.2 Depositor-Supplied Synonyms

1. Lorecivivint

2. 1467093-03-3

3. Sm04690

4. Lorecivivint [usan]

5. N-(5-(3-(7-(3-fluorophenyl)-3h-imidazo[4,5-c]pyridin-2-yl)-1h-indazol-5-yl)pyridin-3-yl)-3-methylbutanamide

6. Adavivint (sm04690)

7. Sm-04690

8. 42ek42whi5

9. 1467093-03-3 (free Base)

10. N-(5-(3-(7-(3-fluorophenyl)-3h-imidazo(4,5-c)pyridin-2-yl)-1h-indazol-5- Yl)-pyridin-3-yl)-3-methylbutanamide

11. Adavivint [inn]

12. N-[5-[3-[7-(3-fluorophenyl)-3h-imidazo[4,5-c]pyridin-2-yl]-1h-indazol-5-yl]pyridin-3-yl]-3-methylbutanamide

13. Adavivint; Sm04690

14. Lorecivivint (usan/inn)

15. Lorecivivint [inn]

16. Adavivint (deprecated Inn)

17. Unii-42ek42whi5

18. Gtpl9620

19. Chembl4297639

20. Schembl15302155

21. Bcp30409

22. Ex-a2711

23. Mfcd30489411

24. S8761

25. Who 10389

26. Db14883

27. Ac-31570

28. As-84223

29. Sm0-4690

30. Hy-109049

31. Cs-0031495

32. D11588

33. D83694

34. A934079

35. Sm04690; Sm-04690; Sm 04690 Pound>>cas:1467013-03-3

36. Butanamide, N-(5-(3-(7-(3-fluorophenyl)-3h-imidazo(4,5-c)pyridin-2-yl)-1h- Indazol-5-yl)-3-pyridinyl)-3-methyl-

37. N-(5-((3z)-3-(7-(3-fluorophenyl)imidazo(4,5-c)pyridin-2-ylidene)-1,2-dihydroindazol-5-yl)pyridin-3-yl)-3-methylbutanamide

38. N-(5-{3-[7-(3-fluorophenyl)-1h-imidazo[4,5-c]pyridin-2-yl]-1h-indazol-5-yl}pyridin-3-yl)-3-methylbutanamide

2.4 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₂₄FN₇O
Molecular Weight	505.5 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	505.20263658 g/mol
Monoisotopic Mass	505.20263658 g/mol
Topological Polar Surface Area	112 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	816
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