C135H150F8N30O15 — CID 158551072
2-cyclopropyl-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158551072) has the molecular formula C135H150F8N30O15 and a molecular weight of 2584.86 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 2-cyclopropyl-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 158551072 |
| Molecular Formula | C135H150F8N30O15 |
| Molecular Weight | 2584.86 g/mol |
| Exact Mass | 2583.18 |
| IUPAC Name | 2-cyclopropyl-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1.Cc1ncc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1 |
| InChI | InChI=1S/C28H33FN6O3.C28H32N6O3.C27H30F2N6O3.C26H27F3N6O3.C26H28F2N6O3/c1-18-22(14-21(15-31-18)32-26(36)19-5-6-30-23(11-19)27(2,3)29)20-12-24(34-7-9-38-10-8-34)33-25(13-20)35-16-28(4,37)17-35;1-18-23(14-22(15-30-18)31-27(35)20-5-6-29-24(11-20)19-3-4-19)21-12-25(33-7-9-37-10-8-33)32-26(13-21)34-16-28(2,36)17-34;1-17-21(13-20(14-31-17)32-25(36)18-4-5-30-22(10-18)27(3,28)29)19-11-23(34-6-8-38-9-7-34)33-24(12-19)35-15-26(2,37)16-35;1-16-20(12-19(13-31-16)32-24(36)17-3-4-30-21(9-17)26(27,28)29)18-10-22(34-5-7-38-8-6-34)33-23(11-18)35-14-25(2,37)15-35;1-16-20(12-19(13-30-16)31-25(35)17-3-4-29-21(9-17)24(27)28)18-10-22(33-5-7-37-8-6-33)32-23(11-18)34-14-26(2,36)15-34/h5-6,11-15,37H,7-10,16-17H2,1-4H3,(H,32,36);5-6,11-15,19,36H,3-4,7-10,16-17H2,1-2H3,(H,31,35);4-5,10-14,37H,6-9,15-16H2,1-3H3,(H,32,36);3-4,9-13,37H,5-8,14-15H2,1-2H3,(H,32,36);3-4,9-13,24,36H,5-8,14-15H2,1-2H3,(H,31,35) |
| InChIKey | HPSLJBWHSPDFMP-UHFFFAOYSA-N |
| XLogP | 17.68 |
| TPSA | 518.55 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 188 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2584.86 |
| LogP ≤ 5 | 17.68 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 40 |