| CAS Number | 2096992-20-8 |
| Catalog Number | AG01EO98(AGN-PC-3H46A9) |
| Chemical Name | 1-Methyl-4-(4-(4-(3-(piperidin-4-ylmethoxy)pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)piperazine hydrochloride |
| IUPAC Name | 1-methyl-4-[4-[4-[3-(piperidin-4-ylmethoxy)pyridin-4-yl]pyrazol-1-yl]phenyl]piperazine;hydrochloride |
| InChI | InChI=1S/C25H32N6O.ClH/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20;/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3;1H |
| InChI Key | AFGMSRRNYDSRPT-UHFFFAOYSA-N |
| MDL Number | MFCD30533463 |
| Molecular Formula | C25H33ClN6O |
| Molecular Weight | 469.0221 |
| SMILES | Cl.CN1CCN(CC1)C1=CC=C(C=C1)N1N=CC(=C1)C1=C(C=NC=C1)OCC1CCNCC1 |
| Synonyms | MELK-8a hydrochloride,
MELK-8a (hydrochloride),
MELK-8A HCL,
CS-6237,
HY-100368A,
2096992-20-8,
1922153-17-0,
|
| Complexity | 557 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 468.24g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 469.03g/mol |
| Monoisotopic Mass | 468.24g/mol |
| Rotatable Bond Count | 6 |
| 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
Lot Number