C134H143F8N25O16 — CID 159750719
2-cyclopropyl-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxypropanoylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 159750719) has the molecular formula C134H143F8N25O16 and a molecular weight of 2511.76 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxypropanoylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.
| Compound Name | 2-cyclopropyl-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxypropanoylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 159750719 |
| Molecular Formula | C134H143F8N25O16 |
| Molecular Weight | 2511.76 g/mol |
| Exact Mass | 2510.10 |
| IUPAC Name | 2-cyclopropyl-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-(2-hydroxypropanoylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide |
| SMILES | Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(NC(=O)C(C)O)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1 |
| InChI | InChI=1S/C28H31N5O3.C28H33N5O3.C27H27F3N4O4.C26H27F2N5O3.C25H25F3N6O3/c1-18-2-5-22(30-28(35)20-6-7-29-25(12-20)19-3-4-19)15-24(18)21-13-26(32-8-10-36-11-9-32)31-27(14-21)33-16-23(34)17-33;1-18(2)25-12-20(6-7-29-25)28(35)30-22-5-4-19(3)24(15-22)21-13-26(32-8-10-36-11-9-32)31-27(14-21)33-16-23(34)17-33;1-16-6-7-21(31-26(37)18-4-3-5-20(12-18)27(28,29)30)15-22(16)19-13-23(33-25(36)17(2)35)32-24(14-19)34-8-10-38-11-9-34;1-16-2-3-19(30-26(35)17-4-5-29-22(10-17)25(27)28)13-21(16)18-11-23(32-6-8-36-9-7-32)31-24(12-18)33-14-20(34)15-33;1-15-2-3-18(30-24(36)17-8-21(25(26,27)28)32-29-12-17)11-20(15)16-9-22(33-4-6-37-7-5-33)31-23(10-16)34-13-19(35)14-34/h2,5-7,12-15,19,23,34H,3-4,8-11,16-17H2,1H3,(H,30,35);4-7,12-15,18,23,34H,8-11,16-17H2,1-3H3,(H,30,35);3-7,12-15,17,35H,8-11H2,1-2H3,(H,31,37)(H,32,33,36);2-5,10-13,20,25,34H,6-9,14-15H2,1H3,(H,30,35);2-3,8-12,19,35H,4-7,13-14H2,1H3,(H,30,36) |
| InChIKey | NDPPKVKGFKLKFU-UHFFFAOYSA-N |
| XLogP | 18.72 |
| TPSA | 479.96 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 183 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2511.76 |
| LogP ≤ 5 | 18.72 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 35 |