GSK-690693

Chemical Information
GSK690693 is a member of the class of imidazopyridines that is 4-(1-ethylimidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol carrying additional 2-(4-amino-1,2,5-oxadiazol-3-yl and [(3S)-piperidin-3-yl]methoxy substituents at positions 4 and 7 respectively. It has a role as an antineoplastic agent and an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of piperidines, a tertiary alcohol, an aromatic amine, an aromatic ether, a 1,2,5-oxadiazole, an imidazopyridine, a primary amino compound and an acetylenic compound.
| CAS Number | 937174-76-0 |
| PubChem CID | 16725726 |
| IUPAC Name | 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol |
| Molecular Formula | C21H27N7O3 |
| Molecular Weight | 425.5 |
| XLogP | 0.3 |
| Topological Polar Surface Area | 137 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 680 |
| Property | Value |
|---|---|
| Molecular Weight | 425.5 |
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 425.21753775 |
| Monoisotopic Mass | 425.21753775 |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 680 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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