2-methyl-1-(3-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperidin-4-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one
Chemical Structure Depiction of
2-methyl-1-(3-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperidin-4-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one
2-methyl-1-(3-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperidin-4-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one
Compound characteristics
| Compound ID: | S905-0886 |
| Compound Name: | 2-methyl-1-(3-{1-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperidin-4-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)propan-1-one |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C22 H33 N7 O2 |
| Smiles: | CC(C)C(N1CCc2nnc(C3CCN(CC3)C(CCn3cc(C)cn3)=O)n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3427 |
| logD: | 0.3405 |
| logSw: | -0.3086 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.867 |
| InChI Key: | MIUDUKFYFNSGSK-UHFFFAOYSA-N |