CAS 781649-84-1

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Also known as: 781649-84-1, 1-piperidin-4-yl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one dihydrochloride, 1-(piperidin-4-yl)-1h,2h,3h-imidazo[4,5-b]pyridin-2-one dihydrochloride, 1-piperidin-4-yl-3h-imidazo[4,5-b]pyridin-2-one;dihydrochloride, 1,3-dihydro-1-(4-piperidinyl)-2h-imidazo[4,5-b]pyridin-2-one dihydrochloride, 2-oxo-1-(4-piperidinyl)-2,3-dihydro-1h-imidazo[4,5-b]pyridine dihydrochloride

Molecular Formula

C₁₁H₁₆Cl₂N₄O

Molecular Weight

291.17 g/mol

InChI Key

OHUCGNJZMRINKX-UHFFFAOYSA-N

1 2D Structure

CAS 781649-84-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride

2.1.2 InChI

InChI=1S/C11H14N4O.2ClH/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8;;/h1-2,5,8,12H,3-4,6-7H2,(H,13,14,16);2*1H

2.1.3 InChI Key

OHUCGNJZMRINKX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1N2C3=C(NC2=O)N=CC=C3.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 781649-84-1

2. 1-piperidin-4-yl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one Dihydrochloride

3. 1-(piperidin-4-yl)-1h,2h,3h-imidazo[4,5-b]pyridin-2-one Dihydrochloride

4. 1-piperidin-4-yl-3h-imidazo[4,5-b]pyridin-2-one;dihydrochloride

5. 1,3-dihydro-1-(4-piperidinyl)-2h-imidazo[4,5-b]pyridin-2-one Dihydrochloride

6. 2-oxo-1-(4-piperidinyl)-2,3-dihydro-1h-imidazo[4,5-b]pyridine Dihydrochloride

7. Schembl438908

8. Chembl3498426

9. Dtxsid80624480

10. Amy21096

11. Cs-b1304

12. Mfcd14705173

13. 1-(piperidin-4-yl)-1h-imidazo[4,5-b]pyridin-2(3h)-one (hydrochloride)

14. Akos015917815

15. Bg-0075

16. Sb43943

17. A9855

18. Ft-0688740

19. A1-02854

20. 1-piperidin-4-yl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one 2hcl

21. 1-(piperidin-4-yl)-1h,2h,3h-imidazo-[4,5-b]pyridin-2-one 2hcl

22. 1-(piperidin-4-yl)-1h,2h,3h-imidazo-[4,5-b]pyridin-2-one Dihydrochloride

23. 1-(piperidin-4-yl)-1h-imidazo[4,5-b]pyridin-2(3h)-one Bis Hcl Salt

24. 1-(piperidin-4-yl)-1h-imidazo[4,5-b]pyridin-2(3h)-onedihydrochloride

25. 1-piperidin-4-yl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one-dihydrochloride

26. 1-piperidin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-on-dihydrochloride

27. 1-piperidin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one Dihydrochloride

28. 1-piperidin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one-dihydrochloride

29. 1-(piperidin-4-yl)-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one--hydrogen Chloride (1/2)

30. 1-piperidin-4-yl-1,3-dihydro-2h-imidazo[4,5-b]pyridin-2-one Dihydrochloride

31. 1-piperidin-4-yl-1,3-dihydro-2h-imidazolo[4,5-b]pyridin-2-one Dihydrochloride

32. 2-oxo-1-piperidinium-4-yl-2,3-dihydro-1h-imidazo[4,5-b]pyridin-4-ium Dichloride

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆Cl₂N₄O
Molecular Weight	291.17 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	57.3
Heavy Atom Count	18
Formal Charge	0
Complexity	277
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	3