(1,5-dimethyl-1H-pyrazol-3-yl){3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
Chemical Structure Depiction of
(1,5-dimethyl-1H-pyrazol-3-yl){3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
(1,5-dimethyl-1H-pyrazol-3-yl){3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone
Compound characteristics
| Compound ID: | T956-0133 |
| Compound Name: | (1,5-dimethyl-1H-pyrazol-3-yl){3-[(2S,4R)-4-hydroxy-1-(propan-2-yl)pyrrolidin-2-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}methanone |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C19 H29 N7 O2 |
| Smiles: | CC(C)N1C[C@@H](C[C@H]1c1nnc2CCN(CCn12)C(c1cc(C)n(C)n1)=O)O |
| Stereo: | ABSOLUTE |
| logP: | -0.3683 |
| logD: | -0.8824 |
| logSw: | -0.6012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.977 |
| InChI Key: | RCUJSJLYSLNBFT-ZBFHGGJFSA-N |