| CAS Number | 1677668-27-7 |
| Catalog Number | AG01FVJ6(AGN-PC-3H60IN) |
| Chemical Name | GNE-6468 |
| IUPAC Name | 4-[6-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyrimidin-8-yl]-2-hydroxybenzoic acid |
| InChI | InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31) |
| InChI Key | GIYKJPISDNWSJD-UHFFFAOYSA-N |
| MDL Number | MFCD16495903 |
| Molecular Formula | C23H16ClN3O4 |
| Molecular Weight | 433.8438 |
| SMILES | C1=NC2=C(C3C=C(O)C(C(O)=O)=CC=3)N=C(C(C3C(Cl)=CC=CC=3C3CC3)=O)N2C=C1 |
| Synonyms | GNE-6468,
CHEMBL3596279,
1677668-27-7,
SCHEMBL16582399,
BDBM50106285,
HY-19775,
CS-0016580,
|
| Complexity | 704 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 433.082934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 433.8g/mol |
| Monoisotopic Mass | 433.082934g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number