[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl][1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl][1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl][1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S565-1234 |
| Compound Name: | [5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl][1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C24 H27 N7 O2 |
| Smiles: | Cc1c(cc(c2ccc(cc2)OC)n1C)C(N1CCc2c(C1)c(c1nncn1C)nn2C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5022 |
| logD: | 1.497 |
| logSw: | -2.2399 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.783 |
| InChI Key: | KSISFWLQPSSEHG-UHFFFAOYSA-N |