4YV
Summary
| Name: | 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine |
| Formula: | C21 H27 N7 O |
| Formal charge: | 0 |
| Formula weight: | 393.485 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine |
| OpenEye OEToolkits | 1.9.2 | 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CN(CCC1OC)c2nc(ccn2)Nc4cc3n(cnc3cn4)C5CCCC5 |
| InChI | InChI | 1.03 | InChI=1S/C21H27N7O/c1-29-16-7-10-27(11-8-16)21-22-9-6-19(26-21)25-20-12-18-17(13-23-20)24-14-28(18)15-4-2-3-5-15/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,22,23,25,26) |
| InChIKey | InChI | 1.03 | HVRZVMCNHMWTOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC1CCN(CC1)c2nccc(Nc3cc4n(cnc4cn3)C5CCCC5)n2 |
| SMILES | CACTVS | 3.385 | COC1CCN(CC1)c2nccc(Nc3cc4n(cnc4cn3)C5CCCC5)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC1CCN(CC1)c2nccc(n2)Nc3cc4c(cn3)ncn4C5CCCC5 |
