4-[4-(dimethylamino)phenyl]-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4-pyridin-3-yl-1h-pyrrole-3-carbonitrile (CHEM338452)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 03:32:13 UTC | ||||||||
| Update Date | 2026-08-31 03:32:13 UTC | ||||||||
| Accession Number | CHEM338452 | ||||||||
| Identification | |||||||||
| Common Name | 4-[4-(dimethylamino)phenyl]-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4-pyridin-3-yl-1h-pyrrole-3-carbonitrile | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H29N5OS | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 447.209 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN(C)C1=CC=C(C=C1)C2(C(=C(NC2=O)SCCN3CCCCC3)C#N)C4=CN=CC=C4 | ||||||||
| InChI Identifier | InChI=1S/C25H29N5OS/c1-29(2)21-10-8-19(9-11-21)25(20-7-6-12-27-18-20)22(17-26)23(28-24(25)31)32-16-15-30-13-4-3-5-14-30/h6-12,18H,3-5,13-16H2,1-2H3,(H,28,31) | ||||||||
| InChI Key | OETGPRMHHMEAHO-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | |||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
