methyl 3-{[4-(1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
methyl 3-{[4-(1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P114-1480 |
| Compound Name: | methyl 3-{[4-(1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridine-1(2H)-carbonyl]amino}benzoate |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H26 N4 O3 |
| Smiles: | CCCn1cc(C2CCN(CC=2)C(Nc2cccc(c2)C(=O)OC)=O)c2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2388 |
| logD: | 4.2383 |
| logSw: | -4.0164 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.499 |
| InChI Key: | XXRBOJWYANHGOI-UHFFFAOYSA-N |