A1AJG
Summary
| Name: | 3-chloro-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide |
| Formula: | C12 H8 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 273.678 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-chloro-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 3-chloranyl-~{N}-(1~{H}-pyrazolo[3,4-b]pyridin-5-yl)pyridine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cnccc1C(=O)Nc1cc2cn[NH]c2nc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H8ClN5O/c13-10-6-14-2-1-9(10)12(19)17-8-3-7-4-16-18-11(7)15-5-8/h1-6H,(H,17,19)(H,15,16,18) |
| InChIKey | InChI | 1.06 | GKGFXBGHHDPTDL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cnccc1C(=O)Nc2cnc3[nH]ncc3c2 |
| SMILES | CACTVS | 3.385 | Clc1cnccc1C(=O)Nc2cnc3[nH]ncc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cncc(c1C(=O)Nc2cc3cn[nH]c3nc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cncc(c1C(=O)Nc2cc3cn[nH]c3nc2)Cl |
