6-{2'-[(3-Hydroxy-1-Pyrrolidinyl)Methyl]-4-Biphenylyl}-1-[3-(5-Oxo-2,5-Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl]-3-(Trifluoromethyl)-1,4,5,6-Tetrahydro-7H-Pyrazolo[3,4-C]Pyridin-7-One
Properties
| Property | Value |
|---|---|
| Formula | C32H28F3N7O3 |
| IUPAC Name | 6-[4-[2-[[(1s,3r)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-[3-(5-oxo-1,2,4-triazole-1,4-diium-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one |
| Molecular Mass | 615.605 g·mol−1 |
| Heat of Formation | -465.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.99 ± 1.08 D |
| Volume | 690.1 Å 3 |
| Surface Area | 566.6 Å 2 |
| HOMO Energy | -9.02 ± 0.55 eV |
| LUMO Energy | 1.69 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YBWAYLVOTDFQQI-XMMPIXPASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |