IIQ
Summary
| Name: | ~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-propyl-pyrrolo[3,2-b]pyridine-3-carboxamide |
| Formula: | C21 H22 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 406.438 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-propyl-pyrrolo[3,2-b]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H22N6O3/c1-3-7-27-12-16(20-18(27)5-4-15(13-28)25-20)21(29)26-19-9-17(23-6-8-30-2)14(10-22)11-24-19/h4-5,9,11-13H,3,6-8H2,1-2H3,(H2,23,24,26,29) |
| InChIKey | InChI | 1.06 | VENQMPULOCFARJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCn1cc(C(=O)Nc2cc(NCCOC)c(cn2)C#N)c3nc(C=O)ccc13 |
| SMILES | CACTVS | 3.385 | CCCn1cc(C(=O)Nc2cc(NCCOC)c(cn2)C#N)c3nc(C=O)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCn1cc(c2c1ccc(n2)C=O)C(=O)Nc3cc(c(cn3)C#N)NCCOC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCn1cc(c2c1ccc(n2)C=O)C(=O)Nc3cc(c(cn3)C#N)NCCOC |
