methyl 3-[(4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
methyl 3-[(4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | L679-0468 |
| Compound Name: | methyl 3-[(4-{[3-(3,5-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}piperazine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H30 N6 O3 |
| Smiles: | Cc1cc(C)cc(c1)n1c(CN2CCN(CC2)C(Nc2cccc(c2)C(=O)OC)=O)nc2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2599 |
| logD: | 4.1538 |
| logSw: | -4.2441 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.977 |
| InChI Key: | CYHNJKKJZMGYDB-UHFFFAOYSA-N |