2-(2-{8,9-dimethyl-7-[2-(morpholin-4-yl)ethyl]-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-(2-{8,9-dimethyl-7-[2-(morpholin-4-yl)ethyl]-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl}ethyl)-1H-isoindole-1,3(2H)-dione
2-(2-{8,9-dimethyl-7-[2-(morpholin-4-yl)ethyl]-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: | IB09-0765 |
| Compound Name: | 2-(2-{8,9-dimethyl-7-[2-(morpholin-4-yl)ethyl]-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl}ethyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C25 H27 N7 O3 |
| Smiles: | Cc1c2c(ncn3c2nc(CCN2C(c4ccccc4C2=O)=O)n3)n(CCN2CCOCC2)c1C |
| Stereo: | ACHIRAL |
| logP: | 1.65 |
| logD: | 1.62 |
| logSw: | -2.64 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 135.72 |
| InChI Key: | IFDOEZJTULUPTQ-UHFFFAOYSA-N |