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Chemistry

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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
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 Weight 401.4 g/mol
Molecular Formula C20H24FN5O3
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass401.18631781 g/mol
Monoisotopic Mass401.18631781 g/mol
Topological Polar Surface Area86.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of heart failure


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