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Also known as: Ca-4948, 1801343-74-7, Irak4-in-7, Chembl4747796, 6'-amino-n-[2-(morpholin-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-[2,3'-bipyridine]-6-carboxamide, 6-(6-aminopyridin-3-yl)-n-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide

Molecular Formula

C₂₁H₁₉N₇O₃

Molecular Weight

417.4 g/mol

InChI Key

RWIMETUXCNDSLE-UHFFFAOYSA-N

1 2D Structure

CA-4948

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide

2.1.2 InChI

InChI=1S/C21H19N7O3/c22-18-5-4-13(11-23-18)15-2-1-3-16(26-15)20(29)25-14-10-17-19(24-12-14)27-21(31-17)28-6-8-30-9-7-28/h1-5,10-12H,6-9H2,(H2,22,23)(H,25,29)

2.1.3 InChI Key

RWIMETUXCNDSLE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COCCN1C2=NC3=C(O2)C=C(C=N3)NC(=O)C4=CC=CC(=N4)C5=CN=C(C=C5)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Ca-4948

2. 1801343-74-7

3. Irak4-in-7

4. Chembl4747796

5. 6'-amino-n-[2-(morpholin-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-[2,3'-bipyridine]-6-carboxamide

6. 6-(6-aminopyridin-3-yl)-n-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide

7. Schembl16896371

8. Dtxsid501339192

9. Bxc34374

10. Ex-a2944

11. Bdbm50547966

12. Mfcd31619276

13. S8562

14. Akos037648966

15. Ccg-268858

16. Bs-16135

17. Hy-109585

18. Cs-0032273

19. N16974

20. A931214

21. 6'-amino-n-[2-(4-morpholinyl)oxazolo[4,5-b]pyridin-6-yl][2,3'-bipyridine]-6-carboxamide

2.3 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₁₉N₇O₃
Molecular Weight	417.4 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	417.15493749 g/mol
Monoisotopic Mass	417.15493749 g/mol
Topological Polar Surface Area	132 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	620
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