61U
Summary
| Name: | 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile |
| Formula: | C27 H31 F N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 490.572 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-fluoranyl-4-[[2-[(1~{R})-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H31FN6O2/c1-27(35,20-5-7-33(2)8-6-20)25-4-3-18-17-30-26(15-22(18)31-25)32-23-14-24(19(16-29)13-21(23)28)34-9-11-36-12-10-34/h3-4,13-15,17,20,35H,5-12H2,1-2H3,(H,30,32)/t27-/m1/s1 |
| InChIKey | InChI | 1.03 | ODDUUXAHBDCKIJ-HHHXNRCGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC(CC1)[C@@](C)(O)c2ccc3cnc(Nc4cc(N5CCOCC5)c(cc4F)C#N)cc3n2 |
| SMILES | CACTVS | 3.385 | CN1CCC(CC1)[C](C)(O)c2ccc3cnc(Nc4cc(N5CCOCC5)c(cc4F)C#N)cc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@](c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O |
