QFB
Summary
| Name: | 7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide |
| Formula: | C22 H26 N10 O2 |
| Formal charge: | 0 |
| Formula weight: | 462.508 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H26N10O2/c1-13-27-20(21(33)24-2)18-9-14(4-7-31(13)18)29-22-25-6-3-19(30-22)32-11-15(10-26-32)28-17-5-8-34-12-16(17)23/h3-4,6-7,9-11,16-17,28H,5,8,12,23H2,1-2H3,(H,24,33)(H,25,29,30)/t16-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | OALOIHPPRINPBM-DLBZAZTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(N[C@@H]5CCOC[C@@H]5N)cn4)cc12 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(N[CH]5CCOC[CH]5N)cn4)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)N[C@@H]5CCOC[C@@H]5N)C(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc(c2n1ccc(c2)Nc3nccc(n3)n4cc(cn4)NC5CCOCC5N)C(=O)NC |
