AFV
Summary
| Name: | 2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide |
| Formula: | C26 H26 F N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 459.515 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide |
| OpenEye OEToolkits | 2.0.6 | 2-fluoranyl-5-[(3~{S},4~{R})-3-(1~{H}-indazol-5-yloxymethyl)piperidin-4-yl]-~{N}-(pyridin-2-ylmethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(c(cc(cc1)C4C(COc3cc2c(nnc2)cc3)CNCC4)C(=O)NCc5ncccc5)F |
| InChI | InChI | 1.03 | InChI=1S/C26H26FN5O2/c27-24-6-4-17(12-23(24)26(33)30-15-20-3-1-2-9-29-20)22-8-10-28-13-19(22)16-34-21-5-7-25-18(11-21)14-31-32-25/h1-7,9,11-12,14,19,22,28H,8,10,13,15-16H2,(H,30,33)(H,31,32)/t19-,22-/m0/s1 |
| InChIKey | InChI | 1.03 | QPWJXBKNAUGRGE-UGKGYDQZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1C(=O)NCc2ccccn2)[C@@H]3CCNC[C@H]3COc4ccc5[nH]ncc5c4 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1C(=O)NCc2ccccn2)[CH]3CCNC[CH]3COc4ccc5[nH]ncc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)cn[nH]5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccnc(c1)CNC(=O)c2cc(ccc2F)C3CCNCC3COc4ccc5c(c4)cn[nH]5 |
