C117H98F18N24O23 — CID 160876809
6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 160876809) has the molecular formula C117H98F18N24O23 and a molecular weight of 2550.18 g/mol. Its IUPAC name is 6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
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| PubChem CID | 160876809 |
| Molecular Formula | C117H98F18N24O23 |
| Molecular Weight | 2550.18 g/mol |
| Exact Mass | 2548.69 |
| IUPAC Name | 6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CCOc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.COCCOc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccn[nH]1.COCCOc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(OC2CCOCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(OCCO)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(OCCO)c(-c2cncnc2)c1 |
| InChI | InChI=1S/C22H19F3N4O4.C20H17F3N4O4.C19H17F3N4O4.C19H15F3N4O4.C19H15F3N4O3.C18H15F3N4O4/c23-22(24,25)33-18-3-1-16(2-4-18)29-20(30)14-9-19(15-10-26-13-27-11-15)21(28-12-14)32-17-5-7-31-8-6-17;1-29-6-7-30-19-17(14-9-24-12-25-10-14)8-13(11-26-19)18(28)27-15-2-4-16(5-3-15)31-20(21,22)23;1-28-8-9-29-18-15(16-6-7-24-26-16)10-12(11-23-18)17(27)25-13-2-4-14(5-3-13)30-19(20,21)22;20-19(21,22)30-15-3-1-14(2-4-15)26-17(28)12-7-16(13-8-23-11-24-9-13)18(25-10-12)29-6-5-27;1-2-28-18-16(13-8-23-11-24-9-13)7-12(10-25-18)17(27)26-14-3-5-15(6-4-14)29-19(20,21)22;19-18(20,21)29-13-3-1-12(2-4-13)24-16(27)11-9-14(15-5-6-23-25-15)17(22-10-11)28-8-7-26/h1-4,9-13,17H,5-8H2,(H,29,30);2-5,8-12H,6-7H2,1H3,(H,27,28);2-7,10-11H,8-9H2,1H3,(H,24,26)(H,25,27);1-4,7-11,27H,5-6H2,(H,26,28);3-11H,2H2,1H3,(H,26,27);1-6,9-10,26H,7-8H2,(H,23,25)(H,24,27) |
| InChIKey | SMMRHVRIJUPFAA-UHFFFAOYSA-N |
| XLogP | 21.75 |
| TPSA | 591.33 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2550.18 |
| LogP ≤ 5 | 21.75 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 39 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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