methyl 2-{[5,6-dimethyl-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5,6-dimethyl-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonyl]amino}benzoate
methyl 2-{[5,6-dimethyl-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | L555-0501 |
| Compound Name: | methyl 2-{[5,6-dimethyl-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 483.57 |
| Molecular Formula: | C28 H29 N5 O3 |
| Smiles: | Cc1c2c(nc(C(Nc3ccccc3C(=O)OC)=O)nc2n(c2ccccc2)c1C)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.6757 |
| logD: | 5.6642 |
| logSw: | -5.688 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.565 |
| InChI Key: | FUBAGPOKLCIDJO-UHFFFAOYSA-N |