T02
Summary
| Name: | 1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| Formula: | C17 H16 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 329.781 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(4-chlorophenyl)-6-methyl-3-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16ClN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23) |
| InChIKey | InChI | 1.03 | LRMOBVZLNQXLBI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1nn(c2ccc(Cl)cc2)c3nc(C)cc(C(O)=O)c13 |
| SMILES | CACTVS | 3.385 | CC(C)c1nn(c2ccc(Cl)cc2)c3nc(C)cc(C(O)=O)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2c(nn(c2n1)c3ccc(cc3)Cl)C(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2c(nn(c2n1)c3ccc(cc3)Cl)C(C)C)C(=O)O |
