2-amino-4-(4-methoxyphenyl)-1-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-methoxyphenyl)-1-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-methoxyphenyl)-1-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y020-1692 |
| Compound Name: | 2-amino-4-(4-methoxyphenyl)-1-(3-methyl-4-phenyl-1H-pyrazol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 451.53 |
| Molecular Formula: | C27 H25 N5 O2 |
| Smiles: | Cc1c(c2ccccc2)c([nH]n1)N1C2CCCC(C=2C(C(C#N)=C1N)c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5811 |
| logD: | 3.5811 |
| logSw: | -4.0512 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.92 |
| InChI Key: | MPCYPMLVUSBSBT-XMMPIXPASA-N |