A1DE3
Summary
| Name: | N,N-dimethyl-2-(4-{[4-methyl-2-(propan-2-yl)pyridin-3-yl]amino}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide |
| Formula: | C20 H25 N5 O |
| Formal charge: | 0 |
| Formula weight: | 351.445 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N,N-dimethyl-2-(4-{[4-methyl-2-(propan-2-yl)pyridin-3-yl]amino}-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N},~{N}-dimethyl-2-[4-[(4-methyl-2-propan-2-yl-pyridin-3-yl)amino]pyrrolo[3,2-c]pyridin-1-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)c1nccc(C)c1Nc1nccc2c1ccn2CC(=O)N(C)C |
| InChI | InChI | 1.06 | InChI=1S/C20H25N5O/c1-13(2)18-19(14(3)6-9-21-18)23-20-15-8-11-25(12-17(26)24(4)5)16(15)7-10-22-20/h6-11,13H,12H2,1-5H3,(H,22,23) |
| InChIKey | InChI | 1.06 | BNCTZKXIAJVAOK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1nccc(C)c1Nc2nccc3n(CC(=O)N(C)C)ccc23 |
| SMILES | CACTVS | 3.385 | CC(C)c1nccc(C)c1Nc2nccc3n(CC(=O)N(C)C)ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccnc(c1Nc2c3ccn(c3ccn2)CC(=O)N(C)C)C(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccnc(c1Nc2c3ccn(c3ccn2)CC(=O)N(C)C)C(C)C |
