AVL
Summary
| Name: | 2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one |
| Formula: | C14 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 230.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one |
| OpenEye OEToolkits | 1.7.6 | 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1c2ccccn2nc1C(C)C)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3 |
| InChIKey | InChI | 1.03 | ZJVFLBOZORBYFE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C(=O)c1c2ccccn2nc1C(C)C |
| SMILES | CACTVS | 3.370 | CC(C)C(=O)c1c2ccccn2nc1C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)c1c(c2ccccn2n1)C(=O)C(C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)c1c(c2ccccn2n1)C(=O)C(C)C |
