1-[3-{(2S,4S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[3-{(2S,4S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
1-[3-{(2S,4S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S904-1379 |
| Compound Name: | 1-[3-{(2S,4S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-4-hydroxypyrrolidin-2-yl}-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-methylpropan-1-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C20 H31 N7 O2 |
| Smiles: | CCn1c(C)c(CN2C[C@H](C[C@H]2c2nnc3CN(CCn23)C(C(C)C)=O)O)cn1 |
| Stereo: | ABSOLUTE |
| logP: | -0.1338 |
| logD: | -2.6278 |
| logSw: | -0.1785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.132 |
| InChI Key: | OQQSHTZKTBTRKA-SJORKVTESA-N |