C137H122F20N24O18 — CID 157241206
5-(5-fluoro-6-methyl-3-pyridinyl)-6-(3-hydroxy-3-methylazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-3-methylazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxyazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 157241206) has the molecular formula C137H122F20N24O18 and a molecular weight of 2772.59 g/mol. Its IUPAC name is 5-(5-fluoro-6-methyl-3-pyridinyl)-6-(3-hydroxy-3-methylazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-3-methylazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxyazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 5-(5-fluoro-6-methyl-3-pyridinyl)-6-(3-hydroxy-3-methylazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-3-methylazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxyazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157241206 |
| Molecular Formula | C137H122F20N24O18 |
| Molecular Weight | 2772.59 g/mol |
| Exact Mass | 2770.90 |
| IUPAC Name | 5-(5-fluoro-6-methyl-3-pyridinyl)-6-(3-hydroxy-3-methylazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-3-methylazetidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxyazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxy-3-methylazetidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CC1(O)CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccnc2)C1.CC1(O)CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncc(F)c2)C1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(C(C)(C)O)C2)cn1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(C)(O)C2)cn1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(O)C2)cn1.Cc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(C)(O)C2)cc1F |
| InChI | InChI=1S/C25H25F3N4O3.C23H20F4N4O3.C23H21F3N4O3.C22H18F4N4O3.2C22H19F3N4O3/c1-15-4-5-16(11-29-15)21-10-17(12-30-22(21)32-13-18(14-32)24(2,3)34)23(33)31-19-6-8-20(9-7-19)35-25(26,27)28;1-13-19(24)8-14(9-28-13)18-7-15(10-29-20(18)31-11-22(2,33)12-31)21(32)30-16-3-5-17(6-4-16)34-23(25,26)27;1-14-3-4-15(10-27-14)19-9-16(11-28-20(19)30-12-22(2,32)13-30)21(31)29-17-5-7-18(8-6-17)33-23(24,25)26;1-21(32)11-30(12-21)19-18(13-6-15(23)10-27-8-13)7-14(9-28-19)20(31)29-16-2-4-17(5-3-16)33-22(24,25)26;1-13-2-3-14(9-26-13)19-8-15(10-27-20(19)29-11-17(30)12-29)21(31)28-16-4-6-18(7-5-16)32-22(23,24)25;1-21(31)12-29(13-21)19-18(14-3-2-8-26-10-14)9-15(11-27-19)20(30)28-16-4-6-17(7-5-16)32-22(23,24)25/h4-12,18,34H,13-14H2,1-3H3,(H,31,33);3-10,33H,11-12H2,1-2H3,(H,30,32);3-11,32H,12-13H2,1-2H3,(H,29,31);2-10,32H,11-12H2,1H3,(H,29,31);2-10,17,30H,11-12H2,1H3,(H,28,31);2-11,31H,12-13H2,1H3,(H,28,30) |
| InChIKey | AVFUJKGNUQUVCV-UHFFFAOYSA-N |
| XLogP | 24.95 |
| TPSA | 525.48 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2772.59 |
| LogP ≤ 5 | 24.95 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 36 |