5-[(3-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-[(3-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-[(3-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V022-3220 |
| Compound Name: | 5-[(3-methylphenyl)methyl]-4-oxo-N-(3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 460.54 |
| Molecular Formula: | C25 H28 N6 O3 |
| Smiles: | Cc1cccc(CN2CCCn3c(cc(C(NCCC(NCc4cccnc4)=O)=O)n3)C2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.0043 |
| logD: | 1.0019 |
| logSw: | -1.4395 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.626 |
| InChI Key: | QLQHDWYNKDTTKR-UHFFFAOYSA-N |