A1JPO
Summary
| Name: | ~{N}-(1-imidazo[1,2-a]pyridin-3-ylcarbonyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide |
| Formula: | C30 H29 F3 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 562.585 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1-imidazo[1,2-a]pyridin-3-ylcarbonyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H29F3N6O2/c1-36-10-12-37(13-11-36)19-20-14-22(16-23(15-20)30(31,32)33)28(40)35-24-6-5-21-7-9-39(25(21)17-24)29(41)26-18-34-27-4-2-3-8-38(26)27/h2-6,8,14-18H,7,9-13,19H2,1H3,(H,35,40) |
| InChIKey | InChI | 1.06 | CHIZKKCOUUPKBP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)Cc2cc(cc(c2)C(F)(F)F)C(=O)Nc3ccc4CCN(C(=O)c5cnc6ccccn56)c4c3 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)Cc2cc(cc(c2)C(F)(F)F)C(=O)Nc3ccc4CCN(C(=O)c5cnc6ccccn56)c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2cc(cc(c2)C(F)(F)F)C(=O)Nc3ccc4c(c3)N(CC4)C(=O)c5cnc6n5cccc6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)Cc2cc(cc(c2)C(F)(F)F)C(=O)Nc3ccc4c(c3)N(CC4)C(=O)c5cnc6n5cccc6 |
