K3X
Summary
| Name: | [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone |
| Formula: | C29 H28 F N5 O |
| Formal charge: | 0 |
| Formula weight: | 481.564 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1 |
| InChIKey | InChI | 1.06 | DUVCPNSLXBKGOK-XMMPIXPASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n2ccc(cc2nc1c3cc4ccccc4n3Cc5ccc(F)cc5)C(=O)N6CCC[C@@H](N)C6 |
| SMILES | CACTVS | 3.385 | Cc1n2ccc(cc2nc1c3cc4ccccc4n3Cc5ccc(F)cc5)C(=O)N6CCC[CH](N)C6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2n1ccc(c2)C(=O)N3CCC[C@H](C3)N)c4cc5ccccc5n4Cc6ccc(cc6)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2n1ccc(c2)C(=O)N3CCCC(C3)N)c4cc5ccccc5n4Cc6ccc(cc6)F |
