QWR
Summary
| Name: | 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine |
| Formula: | C25 H27 Br N8 |
| Formal charge: | 0 |
| Formula weight: | 519.439 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H27BrN8/c1-25(2)5-7-32(8-6-25)12-17-3-4-24-28-19(14-33(24)13-17)15-34-16-23(30-31-34)20-9-18(26)10-22-21(20)11-27-29-22/h3-4,9-11,13-14,16H,5-8,12,15H2,1-2H3,(H,27,29) |
| InChIKey | InChI | 1.06 | RXIOMUYKKTZDFQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CCN(CC1)Cc2ccc3nc(Cn4cc(nn4)c5cc(Br)cc6n[nH]cc56)cn3c2 |
| SMILES | CACTVS | 3.385 | CC1(C)CCN(CC1)Cc2ccc3nc(Cn4cc(nn4)c5cc(Br)cc6n[nH]cc56)cn3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1(CCN(CC1)Cc2ccc3nc(cn3c2)Cn4cc(nn4)c5cc(cc6c5c[nH]n6)Br)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1(CCN(CC1)Cc2ccc3nc(cn3c2)Cn4cc(nn4)c5cc(cc6c5c[nH]n6)Br)C |
