2-{1-[8,9-dimethyl-7-(4-methylpyridin-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{1-[8,9-dimethyl-7-(4-methylpyridin-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione
2-{1-[8,9-dimethyl-7-(4-methylpyridin-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | D472-0544 |
| Compound Name: | 2-{1-[8,9-dimethyl-7-(4-methylpyridin-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 451.49 |
| Molecular Formula: | C25 H21 N7 O2 |
| Smiles: | CC(c1nc2c3c(C)c(C)n(c4cc(C)ccn4)c3ncn2n1)N1C(c2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7333 |
| logD: | 1.9799 |
| logSw: | -4.2712 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.194 |
| InChI Key: | LHSPCFIURYHEDX-INIZCTEOSA-N |