| CAS Number | 2201066-53-5 |
| Catalog Number | AG01FNFJ(AGN-PC-3H4BEK) |
| Chemical Name | AGI 24512 |
| IUPAC Name | 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one |
| InChI | InChI=1S/C24H24N4O2/c1-16-20(17-10-12-19(29)13-11-17)24(30)28-23(25-16)22(27-14-6-3-7-15-27)21(26-28)18-8-4-2-5-9-18/h2,4-5,8-13,26,29H,3,6-7,14-15H2,1H3 |
| InChI Key | VFEXODVWKUOZBF-UHFFFAOYSA-N |
| MDL Number | MFCD31657414 |
| Molecular Formula | C24H24N4O2 |
| Molecular Weight | 400.4730 |
| SMILES | O=C1C(C=2C=CC(O)=CC2)=C(NC3=C(C(=NN13)C=4C=CC=CC4)N5CCCCC5)C |
| Synonyms | AGI-24512,
2201066-53-5,
SCHEMBL19927037,
HY-112130,
CS-0043445,
|
| Complexity | 779 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 400.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 400.482g/mol |
| Monoisotopic Mass | 400.19g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number