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Also known as: 873697-71-3, Omecamtiv mecarbil (ck-1827452), Ck-1827452, Methyl 4-(2-fluoro-3-(3-(6-methylpyridin-3-yl)ureido)benzyl)piperazine-1-carboxylate, Ck1827452, Ck 1827452

Molecular Formula

C₂₀H₂₄FN₅O₃

Molecular Weight

401.4 g/mol

InChI Key

RFUBTTPMWSKEIW-UHFFFAOYSA-N

FDA UNII

2M19539ERK

Omecamtiv Mecarbil has been used in trials studying the treatment and basic science of Heart Failure, Echocardiogram, Pharmacokinetics, Chronic Heart Failure, and History of Chronic Heart Failure, among others.

1 2D Structure

Omecamtiv Mecarbil

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate

2.1.2 InChI

InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)

2.1.3 InChI Key

RFUBTTPMWSKEIW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C(=O)OC

2.2 Other Identifiers

2.2.1 UNII

2M19539ERK

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Amg-423

2. Ck 1827452

3. Ck-1827452

2.3.2 Depositor-Supplied Synonyms

1. 873697-71-3

2. Omecamtiv Mecarbil (ck-1827452)

3. Ck-1827452

4. Methyl 4-(2-fluoro-3-(3-(6-methylpyridin-3-yl)ureido)benzyl)piperazine-1-carboxylate

5. Ck1827452

6. Ck 1827452

7. Amg-423

8. Methyl 4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate

9. Chembl1800955

10. 2m19539erk

11. Ck-452

12. Methyl 4-[[2-fluoro-3-[n'-(6-methylpyridin-3-yl)ureido]phenyl]methyl]piperazine-1-carboxylate

13. Methyl 4-(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}benzyl)piperazine-1-carboxylate

14. 1-piperazinecarboxylic Acid, 4-((2-fluoro-3-((((6-methyl-3-pyridinyl)amino)carbonyl)amino)phenyl)methyl)-, Methyl Ester

15. Methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate

16. Omecamtiv Mecarbil [usan]

17. Unii-2m19539erk

18. Omecamtiv Mecarbil [usan:inn]

19. Omecamtiv-mecarbil

20. Omecamtiv Mercarbil

21. Methyl 4-((2-fluoro-3-(((6-methylpyridin-3-yl)carbamoyl)amino)phenyl)methyl)piperazine-1-carboxylate

22. Mls006011266

23. Schembl400544

24. Gtpl8740

25. Omecamtiv Mecarbil (usan/inn)

26. Omecamtiv Mecarbil [inn]

27. Amg 423

28. Ex-a714

29. Chebi:188664

30. Bcpp000140

31. Ck-1827452;omecamtiv Mecarbil

32. Dtxsid901025949

33. Hms3656f05

34. Bcp03048

35. Omecamtiv Mecarbil [who-dd]

36. Bdbm50348423

37. Mfcd18633260

38. Zinc38253214

39. Akos026674125

40. Bcp9001023

41. Ccg-268662

42. Cs-0460

43. Db11816

44. Sb16684

45. Ncgc00346618-01

46. Ncgc00346618-02

47. Ncgc00346618-07

48. Ac-32748

49. As-60560

50. Hy-14233

51. Smr004703017

52. Bcp0726000250

53. Ft-0700389

54. S2623

55. Sw219490-1

56. D09648

57. F15273

58. Omecamtiv Mecarbil;ck-1827452;ck 1827452

59. J-690376

60. Q7089956

61. Methyl 4-((2-fluoro-3-(((6-methylpyridin-3-yl)carbamoyl)amino)phenyl)methyl) Piperazine-1-carboxylate

62. Methyl 4-[[2-luoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄FN₅O₃
Molecular Weight	401.4 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	401.18631781 g/mol
Monoisotopic Mass	401.18631781 g/mol
Topological Polar Surface Area	86.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	558
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