ethyl 3-{4-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]butanamido}benzoate
Chemical Structure Depiction of
ethyl 3-{4-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]butanamido}benzoate
ethyl 3-{4-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]butanamido}benzoate
Compound characteristics
| Compound ID: | G284-1245 |
| Compound Name: | ethyl 3-{4-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]butanamido}benzoate |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(CCCn1c2c(c(C)cc(C)n2)c(n1)n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.277 |
| logD: | 4.2735 |
| logSw: | -4.3843 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.528 |
| InChI Key: | PWVRJVJMNCZQBM-UHFFFAOYSA-N |