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Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

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Chemistry

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Also known as: 449811-01-2, Ro 4402257, R1503, Ro4402257, Ro-4402257, Chembl1090089

Molecular Formula

C₁₉H₂₀F₂N₄O₄

Molecular Weight

406.4 g/mol

InChI Key

JYYLVUFNAHSSFE-UHFFFAOYSA-N

FDA UNII

8S2C9V11K4

1 2D Structure

Pamapimod

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-(2,4-difluorophenoxy)-2-(1,5-dihydroxypentan-3-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one

2.1.2 InChI

InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)

2.1.3 InChI Key

JYYLVUFNAHSSFE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC(CCO)CCO

2.2 Other Identifiers

2.2.1 UNII

8S2C9V11K4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 449811-01-2

2. Ro 4402257

3. R1503

4. Ro4402257

5. Ro-4402257

6. Chembl1090089

7. Chebi:90685

8. R-1503

9. 8s2c9v11k4

10. Pamapimod (r-1503, Ro4402257)

11. 6-(2,4-difluorophenoxy)-2-(1,5-dihydroxypentan-3-ylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one

12. 6-(2,4-difluorophenoxy)-2-[[3-hydroxy-1-(2-hydroxyethyl)propyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one

13. 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one

14. Pamapimod [usan]

15. Pamapimod [usan:inn]

16. Unii-8s2c9v11k4

17. 6-(2,4-difluorophenoxy)-2-((1,5-dihydroxypentan-3-yl)amino)-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one

18. 6-(2,4-difluorophenoxy)-2-((3-hydroxy-1-(2-hydroxyethyl)propyl)amino)-8-methylpyrido(2,3-d)pyrimidin-7(8h)-one

19. 6-(2,4-difluorophenoxy)-2-[(1,5-dihydroxypentan-3-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8h)-one

20. Pamapimodr-1503

21. Pamapimod [inn]

22. Pamapimod (inn/usan)

23. R 1503

24. Pamapimod [who-dd]

25. Gtpl9915

26. Schembl3636701

27. Dtxsid90963312

28. Bcp17491

29. Ex-a1084

30. Bdbm50314070

31. Mfcd25976551

32. S8125

33. Zinc30691792

34. Ccg-268715

35. Cs-5965

36. Compound 2b [pmid: 21375264]

37. Ac-33182

38. As-56094

39. Hy-10405

40. Ft-0673504

41. D08963

42. Q27162644

43. 6-(2,4-difluorophenoxy)-2-[(1,5-dihydroxypentan-3-yl)amino]-8-methyl-7h,8h-pyrido[2,3-d]pyrimidin-7-one

44. 6-(2,4-difluorophenoxy)-2-[(1,5-dihydroxypentan-3-yl)imino]-8-methyl-2,8-dihydropyrido[2,3-d]pyrimidin-7(3h)-one

45. Flw

46. Pyrido(2,3-d)pyrimidin-7(8h)-one, 6-(2,4-difluorophenoxy)-2-((3-hydroxy-1-(2-hydroxyethyl)propyl)amino)-8-methyl-

2.4 Create Date

2007-07-23

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₀F₂N₄O₄
Molecular Weight	406.4 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	406.14526146 g/mol
Monoisotopic Mass	406.14526146 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	591
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