E-616452;SJN 2511;E616452;SJN2511;E 616452;SJN-2511

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Also known as: 446859-33-2, Alk5 inhibitor ii, 2-(3-(6-methylpyridin-2-yl)-1h-pyrazol-4-yl)-1,5-naphthyridine, Alk5 inhibitor, Sjn 2511, Repsox (gmp)

Molecular Formula

C₁₇H₁₃N₅

Molecular Weight

287.32 g/mol

InChI Key

LBPKYPYHDKKRFS-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine

2.1.2 InChI

InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)

2.1.3 InChI Key

LBPKYPYHDKKRFS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC(=CC=C1)C2=C(C=NN2)C3=NC4=C(C=C3)N=CC=C4

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 616452 Compound

2. E 616452

3. E-616452

4. E616452

2.2.2 Depositor-Supplied Synonyms

1. 446859-33-2

2. Alk5 Inhibitor Ii

3. 2-(3-(6-methylpyridin-2-yl)-1h-pyrazol-4-yl)-1,5-naphthyridine

4. Alk5 Inhibitor

5. Sjn 2511

6. Repsox (gmp)

7. E-616452

8. 2-[3-(6-methyl-2-pyridinyl)-1h-pyrazol-4-yl]-1,5-naphthyridine

9. 2-[5-(6-methylpyridin-2-yl)-1h-pyrazol-4-yl]-1,5-naphthyridine

10. Gw786460x

11. Chembl185238

12. Sjn-2511

13. 1,5-naphthyridine, 2-[3-(6-methyl-2-pyridinyl)-1h-pyrazol-4-yl]-

14. 2-(3-(6-methylpyridine-2-yl)-1h-pyrazol-4-yl)-1,5-naphthyridine

15. 2-(3-(6-methyl-2-pyridinyl)-1h-pyrazol-4-yl)-1,5-naphthyridine

16. 2-[3-(6-methylpyridin-2-yl)-1h-pyrazol-4-yl]-1,5-naphthyridine

17. 1vjy

18. Alk 5 Inhibitor Ii

19. Repsoxalk5 Inhibitor Ii

20. Mls006011123

21. Schembl144632

22. Repsox (alk5 Inhibitor Ii)

23. Schembl16969100

24. Alk5 Inhibitor Ii Hydrochloride

25. Repsox, >=98% (hplc)

26. Dtxsid80332295

27. Chebi:190969

28. Hms2043p13

29. Hms3261n03

30. Hms3653m19

31. Amy20099

32. Bcp04103

33. Ex-a2879

34. Tox21_500541

35. Bdbm50151347

36. Hy-13012g

37. Mfcd09037561

38. Nsc756354

39. S7223

40. Zinc16052804

41. Akos016009677

42. Bcp9000274

43. Ccg-221845

44. Cs-1321

45. Nsc-756354

46. Ncgc00242054-01

47. Ncgc00242054-02

48. Ncgc00242054-03

49. Ncgc00242054-17

50. Ncgc00261226-01

51. Ac-28395

52. As-16653

53. Da-42419

54. Hy-13012

55. Smr004702903

56. Bcp0726000102

57. Cs-0617970

58. Ft-0759246

59. R0224

60. Sw212662-2

61. J3.496.867e

62. Ab01092249-01

63. Gw786460x (616452)

64. J-507645

65. 3-(2-carboxyethyl)-2,5-dimethylbenzoxazoliumbromide

66. 2-[3-(6-methyl-2-pyridyl)-1h-pyrazole-4-yl]-1,5-naphthyridine

67. 2-[3-(6-methyl-pyridin-2-yl)-1h-pyrazol-4-yl]-[1,5]naphthyridine

68. E-616452;sjn 2511;e616452;sjn2511;e 616452;sjn-2511

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₃N₅
Molecular Weight	287.32 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	287.11709544 g/mol
Monoisotopic Mass	287.11709544 g/mol
Topological Polar Surface Area	67.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	376
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

E-616452;SJN 2511;E616452;SJN2511;E 616452;SJN-2511

E-616452;SJN 2511;E616452;SJN2511;E 616452;SJN-2511

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