XU9
Summary
| Name: | ethyl (8S)-4-(cyclopropylethynyl)pyrazolo[1,5-a]pyridine-3-carboxylate |
| Formula: | C15 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 254.284 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (8S)-4-(cyclopropylethynyl)pyrazolo[1,5-a]pyridine-3-carboxylate |
| OpenEye OEToolkits | 2.0.7 | ethyl 4-(2-cyclopropylethynyl)pyrazolo[1,5-a]pyridine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)c1cnn2cccc(C#CC3CC3)c12 |
| InChI | InChI | 1.06 | InChI=1S/C15H14N2O2/c1-2-19-15(18)13-10-16-17-9-3-4-12(14(13)17)8-7-11-5-6-11/h3-4,9-11H,2,5-6H2,1H3 |
| InChIKey | InChI | 1.06 | JXKYSMBFBAAONQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1cnn2cccc(C#CC3CC3)c12 |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1cnn2cccc(C#CC3CC3)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1cnn2c1c(ccc2)C#CC3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1cnn2c1c(ccc2)C#CC3CC3 |
