5-[(4-fluorophenyl)methyl]-N-methyl-4-oxo-N-(2-oxo-2-{[2-(piperidin-1-yl)ethyl]amino}ethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(4-fluorophenyl)methyl]-N-methyl-4-oxo-N-(2-oxo-2-{[2-(piperidin-1-yl)ethyl]amino}ethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-fluorophenyl)methyl]-N-methyl-4-oxo-N-(2-oxo-2-{[2-(piperidin-1-yl)ethyl]amino}ethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V013-0725 |
| Compound Name: | 5-[(4-fluorophenyl)methyl]-N-methyl-4-oxo-N-(2-oxo-2-{[2-(piperidin-1-yl)ethyl]amino}ethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H33 F N6 O3 |
| Salt: | not_available |
| Smiles: | CN(CC(NCCN1CCCCC1)=O)C(c1cc2C(N(CCCn2n1)Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.777 |
| logD: | -0.7334 |
| logSw: | -2.1383 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.828 |
| InChI Key: | FIWVORIAFCPLEB-UHFFFAOYSA-N |