5-[(4-fluorophenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-4-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(4-fluorophenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-4-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(4-fluorophenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-4-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V016-4009 |
| Compound Name: | 5-[(4-fluorophenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-4-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C24 H25 F N6 O3 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2ccc(cc2)F)C(c2cc(C(NCCC(NCc3ccncc3)=O)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.258 |
| logD: | 0.2546 |
| logSw: | -1.4305 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.536 |
| InChI Key: | IVYILFMIFVCHOC-UHFFFAOYSA-N |