5UZ
Summary
| Name: | 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid |
| Formula: | C28 H30 F N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 475.555 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C28H30FN3O3/c1-2-7-20-9-3-4-15-31(20)27(33)23-12-6-11-22(25(23)29)19-8-5-10-21(16-19)32-26(18-13-14-18)24(17-30-32)28(34)35/h5-6,8,10-12,16-18,20H,2-4,7,9,13-15H2,1H3,(H,34,35)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | ILYPAKWDDIPWBD-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@H]1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4ncc(C(O)=O)c4C5CC5 |
| SMILES | CACTVS | 3.385 | CCC[CH]1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4ncc(C(O)=O)c4C5CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@@H]1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4c(c(cn4)C(=O)O)C5CC5 |
