2-phenyl-6-[1-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
2-phenyl-6-[1-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
2-phenyl-6-[1-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S021-2322 |
| Compound Name: | 2-phenyl-6-[1-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperidine-3-carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 549.65 |
| Molecular Formula: | C27 H31 N7 O4 S |
| Smiles: | Cc1c(c(C)n(C)n1)S(N1CCCC(C1)C(N1CCC2=C(C1)N=C1C=C(c3ccccc3)NN1C2=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4074 |
| logD: | 0.4073 |
| logSw: | -2.355 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.277 |
| InChI Key: | QLYOGAYCQSTDAS-FQEVSTJZSA-N |