2-(2-chlorophenyl)-6-[1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)piperidine-4-carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
2-(2-chlorophenyl)-6-[1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)piperidine-4-carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
2-(2-chlorophenyl)-6-[1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)piperidine-4-carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S021-2244 |
| Compound Name: | 2-(2-chlorophenyl)-6-[1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)piperidine-4-carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 571.05 |
| Molecular Formula: | C26 H27 Cl N6 O5 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCC(CC1)C(N1CCC2=C(C1)N=C1C=C(c3ccccc3[Cl])NN1C2=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6625 |
| logD: | 1.6616 |
| logSw: | -3.1373 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.543 |
| InChI Key: | AWOMSHFLCRXUMC-UHFFFAOYSA-N |