622
Summary
| Name: | 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine |
| Formula: | C21 H19 F2 N5 O |
| Formal charge: | 0 |
| Formula weight: | 395.405 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine |
| OpenEye OEToolkits | 2.0.6 | 6-fluoranyl-~{N}-[(5-fluoranyl-2-methoxy-pyridin-3-yl)methyl]-5-[(5-methyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc2c(nc1)ncc2Cc4c(nc(NCc3c(OC)ncc(c3)F)cc4)F)C |
| InChI | InChI | 1.03 | InChI=1S/C21H19F2N5O/c1-12-5-17-14(9-26-20(17)25-8-12)6-13-3-4-18(28-19(13)23)24-10-15-7-16(22)11-27-21(15)29-2/h3-5,7-9,11H,6,10H2,1-2H3,(H,24,28)(H,25,26) |
| InChIKey | InChI | 1.03 | NSMOZFXKTHCPTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(F)cc1CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2 |
| SMILES | CACTVS | 3.385 | COc1ncc(F)cc1CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F |
