N-(2-cyanoethyl)-2-{6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-2-{6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[(pyridin-3-yl)methyl]acetamide
N-(2-cyanoethyl)-2-{6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V015-9005 |
| Compound Name: | N-(2-cyanoethyl)-2-{6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 551.67 |
| Molecular Formula: | C30 H29 N7 O2 S |
| Salt: | not_available |
| Smiles: | CC1=C(C(N2C(CC(N(CCC#N)Cc3cccnc3)=O)=CSC2=N1)=O)c1cc(C)n(c2cc(C)ccc2C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8624 |
| logD: | 2.862 |
| logSw: | -2.8555 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.295 |
| InChI Key: | OUTPRLBJMANYJU-UHFFFAOYSA-N |