JNK
Summary
| Name: | N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE |
| Synonyms: | 4-METHOXY-CYCLOHEXANECARBOXYLIC ACID [2'-(4-FLUORO-PHENYLAMINO)-[4,4'] BIPYRIDINYL-2-YL]-AMIDE |
| Formula: | C24 H25 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 420.479 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | trans-N-{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl}-4-methoxycyclohexanecarboxamide |
| OpenEye OEToolkits | 1.5.0 | N-[4-[2-[(4-fluorophenyl)amino]pyridin-4-yl]pyridin-2-yl]-4-methoxy-cyclohexane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc3nccc(c2ccnc(Nc1ccc(F)cc1)c2)c3)C4CCC(OC)CC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@H]1CC[C@@H](CC1)C(=O)Nc2cc(ccn2)c3ccnc(Nc4ccc(F)cc4)c3 |
| SMILES | CACTVS | 3.341 | CO[CH]1CC[CH](CC1)C(=O)Nc2cc(ccn2)c3ccnc(Nc4ccc(F)cc4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC1CCC(CC1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC1CCC(CC1)C(=O)Nc2cc(ccn2)c3ccnc(c3)Nc4ccc(cc4)F |
| InChI | InChI | 1.03 | InChI=1S/C24H25FN4O2/c1-31-21-8-2-16(3-9-21)24(30)29-23-15-18(11-13-27-23)17-10-12-26-22(14-17)28-20-6-4-19(25)5-7-20/h4-7,10-16,21H,2-3,8-9H2,1H3,(H,26,28)(H,27,29,30)/t16-,21- |
| InChIKey | InChI | 1.03 | ACGBFWCBVIXTPZ-OQIWPSSASA-N |
