| CAS Number | 1801343-74-7 |
| Catalog Number | AG01EO7L(AGN-PC-3H4693) |
| Chemical Name | CA-4948 |
| IUPAC Name | 6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide |
| 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) |
| InChI Key | RWIMETUXCNDSLE-UHFFFAOYSA-N |
| MDL Number | MFCD31619276 |
| Molecular Formula | C21H19N7O3 |
| Molecular Weight | 417.4207 |
| SMILES | O=C(C1=CC=CC(C2=CN=C(N)C=C2)=N1)NC3=CN=C4C(OC(N5CCOCC5)=N4)=C3 |
| Synonyms | CA-4948,
1801343-74-7,
6'-Amino-N-[2-(morpholin-4-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-[2,3'-bipyridine]-6-carboxamide,
SCHEMBL16896371,
GTPL10152,
AU4948,
CA4948,
AU-4948,
example 1 [WO2015104688A1],
HY-109585,
CS-0032273,
6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide,
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| Complexity | 620 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.429g/mol |
| Monoisotopic Mass | 417.155g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 132A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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