| CAS Number | 603272-51-1 |
| Catalog Number | AG00ECDQ(AGN-PC-0SVRQW) |
| Chemical Name | GSK-3 inhibitor 1 |
| IUPAC Name | 3-(6-fluoro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl)-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione;hydrochloride |
| InChI | InChI=1S/C22H16FN5O2.ClH/c23-13-7-12-9-24-4-6-27-11-15(14(8-13)20(12)27)18-19(22(30)26-21(18)29)16-10-25-17-3-1-2-5-28(16)17;/h1-3,5,7-8,10-11,24H,4,6,9H2,(H,26,29,30);1H |
| InChI Key | CXXAOCQHGIGIBJ-UHFFFAOYSA-N |
| MDL Number | MFCD28168003 |
| Molecular Formula | C22H17ClFN5O2 |
| Molecular Weight | 437.8541 |
| SMILES | C1(F)C=C2C(C3C(=O)NC(=O)C=3C3N4C=CC=CC4=NC=3)=CN3CCNCC(=C23)C=1.Cl |
| Synonyms | GSK-3 inhibitor 1,
603272-51-1,
BCP11063,
HY-13973A,
AKOS030526856,
CS-2103,
|
| Complexity | 788 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 437.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 437.859g/mol |
| Monoisotopic Mass | 437.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number