A1COK
6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine
| Created: | 2025-08-21 |
| Last modified: | 2025-09-10 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 51 |
| Chiral Atom Count | 1 |
| Bond Count | 53 |
| Aromatic Bond Count | 12 |
Chemical Component Summary | |
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| Name | 6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine |
| Systematic Name (OpenEye OEToolkits) | 6-[[2,3-bis(fluoranyl)-5-[2-[(3~{S})-3-fluoranylpiperidin-1-yl]ethyl]phenoxy]methyl]-4-methyl-pyridin-2-amine |
| Formula | C20 H24 F3 N3 O |
| Molecular Weight | 379.419 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1cc(nc(N)c1)COc1cc(CCN2CCCC(F)C2)cc(F)c1F |
| SMILES | CACTVS | 3.385 | Cc1cc(N)nc(COc2cc(CCN3CCC[CH](F)C3)cc(F)c2F)c1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CCCC(C3)F |
| Canonical SMILES | CACTVS | 3.385 | Cc1cc(N)nc(COc2cc(CCN3CCC[C@H](F)C3)cc(F)c2F)c1 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CCC[C@@H](C3)F |
| InChI | InChI | 1.06 | InChI=1S/C20H24F3N3O/c1-13-7-16(25-19(24)8-13)12-27-18-10-14(9-17(22)20(18)23)4-6-26-5-2-3-15(21)11-26/h7-10,15H,2-6,11-12H2,1H3,(H2,24,25)/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | BJWXCSTUZUPYSC-HNNXBMFYSA-N |
