C132H144F7N29O17S — CID 161396932
6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;5-(difluoromethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-methylsulfonylpyridazine-4-carboxamide;N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 161396932) has the molecular formula C132H144F7N29O17S and a molecular weight of 2573.84 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;5-(difluoromethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-methylsulfonylpyridazine-4-carboxamide;N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.
| Compound Name | 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;5-(difluoromethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-methylsulfonylpyridazine-4-carboxamide;N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide |
|---|---|
| PubChem CID | 161396932 |
| Molecular Formula | C132H144F7N29O17S |
| Molecular Weight | 2573.84 g/mol |
| Exact Mass | 2572.09 |
| IUPAC Name | 6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;5-(difluoromethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-methylsulfonylpyridazine-4-carboxamide;N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1.Cc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1.Cc1ccc(NC(=O)c2cnnc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(C)(O)C2)c1.Cc1ccc(NC(=O)c2cnncc2C(F)F)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1 |
| InChI | InChI=1S/C28H32N6O3.C27H29F2N5O3.C26H27F3N6O3.C26H30N6O5S.C25H26F2N6O3/c1-18-3-6-22(30-27(35)21-11-24(19-4-5-19)32-29-15-21)14-23(18)20-12-25(33-7-9-37-10-8-33)31-26(13-20)34-16-28(2,36)17-34;1-17-3-4-20(31-26(35)18-5-6-30-22(11-18)25(28)29)14-21(17)19-12-23(33-7-9-37-10-8-33)32-24(13-19)34-15-27(2,36)16-34;1-16-3-4-19(31-24(36)18-9-21(26(27,28)29)33-30-13-18)12-20(16)17-10-22(34-5-7-38-8-6-34)32-23(11-17)35-14-25(2,37)15-35;1-17-4-5-20(28-25(33)19-12-24(30-27-14-19)38(3,35)36)13-21(17)18-10-22(31-6-8-37-9-7-31)29-23(11-18)32-15-26(2,34)16-32;1-15-2-3-17(30-25(35)21-12-29-28-11-20(21)24(26)27)10-19(15)16-8-22(32-4-6-36-7-5-32)31-23(9-16)33-13-18(34)14-33/h3,6,11-15,19,36H,4-5,7-10,16-17H2,1-2H3,(H,30,35);3-6,11-14,25,36H,7-10,15-16H2,1-2H3,(H,31,35);3-4,9-13,37H,5-8,14-15H2,1-2H3,(H,31,36);4-5,10-14,34H,6-9,15-16H2,1-3H3,(H,28,33);2-3,8-12,18,24,34H,4-7,13-14H2,1H3,(H,30,35) |
| InChIKey | VTSKTJOIYNZGKC-UHFFFAOYSA-N |
| XLogP | 15.92 |
| TPSA | 539.80 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 186 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2573.84 |
| LogP ≤ 5 | 15.92 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 41 |