| CAS Number | 1258651-81-8 |
| Catalog Number | AG01AAOI |
| Chemical Name | 2-chloro-1-(4-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one hydrochloride |
| IUPAC Name | 2-chloro-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;hydrochloride |
| InChI | InChI=1S/C12H15ClN6O.ClH/c1-17-11-9(7-16-17)12(15-8-14-11)19-4-2-18(3-5-19)10(20)6-13;/h7-8H,2-6H2,1H3;1H |
| InChI Key | YJDADOQWPIHKRL-UHFFFAOYSA-N |
| MDL Number | MFCD17480372 |
| Molecular Formula | C12H16Cl2N6O |
| Molecular Weight | 331.2010 |
| SMILES | Cl.CN1C2=C(C(N3CCN(C(CCl)=O)CC3)=NC=N2)C=N1 |
| Synonyms | 2-chloro-1-(4-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one hydrochloride,
1258651-81-8,
AC1Q3BO9,
NE24603,
EN300-69155,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.201g/mol |
| Monoisotopic Mass | 330.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number