| CAS Number | 2109414-80-2 |
| Catalog Number | AG01FN92(AGN-PC-3H4BDE) |
| Chemical Name | LDN212854trihydrochloride |
| IUPAC Name | 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;trihydrochloride |
| InChI | InChI=1S/C25H22N6.3ClH/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30;;;/h1-10,15-17,26H,11-14H2;3*1H |
| InChI Key | RIMSXBSYXNLYPT-UHFFFAOYSA-N |
| MDL Number | MFCD28396406 |
| Molecular Formula | C25H25Cl3N6 |
| Molecular Weight | 515.8652 |
| SMILES | |
| Synonyms | LDN 212854 trihydrochloride,
5-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline trihydrochloride,
2109414-80-2,
1432597-26-6,
|
| Complexity | 587 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 514.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 515.867g/mol |
| Monoisotopic Mass | 514.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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