A1AJ0
Summary
| Name: | (5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid |
| Formula: | C9 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 191.187 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(5-methylpyrazolo[3,4-b]pyridin-1-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cn1ncc2cc(C)cnc21 |
| InChI | InChI | 1.06 | InChI=1S/C9H9N3O2/c1-6-2-7-4-11-12(5-8(13)14)9(7)10-3-6/h2-4H,5H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.06 | KICZOAAIQKXMFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnc2n(CC(O)=O)ncc2c1 |
| SMILES | CACTVS | 3.385 | Cc1cnc2n(CC(O)=O)ncc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2cnn(c2nc1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2cnn(c2nc1)CC(=O)O |
