3-Methyl-1-[3-(5-Oxo-2,5-Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl]-6-[2'-(1-Pyrrolidinylmethyl)-4-Biphenylyl]-1,4,5,6-Tetrahydro-7H-Pyrazolo[3,4-C]Pyridin-7-One
Properties
| Property | Value |
|---|---|
| Formula | C32H31N7O2 |
| IUPAC Name | 3-methyl-1-[3-(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one |
| Molecular Mass | 545.634 g·mol−1 |
| Heat of Formation | 326.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.22 ± 1.08 D |
| Volume | 652.25 Å 3 |
| Surface Area | 539.45 Å 2 |
| HOMO Energy | -8.74 ± 0.55 eV |
| LUMO Energy | 2.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DBOPERRYUICVTA-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |