C131H140F3N27O20S — CID 157125726
5-cyclopropyl-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-1,2-oxazole-3-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 157125726) has the molecular formula C131H140F3N27O20S and a molecular weight of 2501.79 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-1,2-oxazole-3-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
| Compound Name | 5-cyclopropyl-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-1,2-oxazole-3-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 157125726 |
| Molecular Formula | C131H140F3N27O20S |
| Molecular Weight | 2501.79 g/mol |
| Exact Mass | 2500.04 |
| IUPAC Name | 5-cyclopropyl-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-1,2-oxazole-3-carboxamide;N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(1,3,4-oxadiazol-2-yl)benzamide;N-[5-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide |
| SMILES | Cc1ccc(NC(=O)c2cc(C3CC3)on2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ncc(NC(=O)c2cc(C3CC3)on2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ncc(NC(=O)c2cccc(-c3nnco3)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CC(O)C2)c1 |
| InChI | InChI=1S/C27H27N7O4.C27H30N4O5S.C26H26F3N5O3.C26H29N5O4.C25H28N6O4/c1-17-23(20-10-24(33-5-7-37-8-6-33)31-25(11-20)34-14-22(35)15-34)12-21(13-28-17)30-26(36)18-3-2-4-19(9-18)27-32-29-16-38-27;1-18-6-7-21(28-27(33)19-4-3-5-23(12-19)37(2,34)35)15-24(18)20-13-25(30-8-10-36-11-9-30)29-26(14-20)31-16-22(32)17-31;1-16-22(12-20(13-30-16)31-25(36)17-3-2-4-19(9-17)26(27,28)29)18-10-23(33-5-7-37-8-6-33)32-24(11-18)34-14-21(35)15-34;1-16-2-5-19(27-26(33)22-13-23(35-29-22)17-3-4-17)12-21(16)18-10-24(30-6-8-34-9-7-30)28-25(11-18)31-14-20(32)15-31;1-15-20(10-18(12-26-15)27-25(33)21-11-22(35-29-21)16-2-3-16)17-8-23(30-4-6-34-7-5-30)28-24(9-17)31-13-19(32)14-31/h2-4,9-13,16,22,35H,5-8,14-15H2,1H3,(H,30,36);3-7,12-15,22,32H,8-11,16-17H2,1-2H3,(H,28,33);2-4,9-13,21,35H,5-8,14-15H2,1H3,(H,31,36);2,5,10-13,17,20,32H,3-4,6-9,14-15H2,1H3,(H,27,33);8-12,16,19,32H,2-7,13-14H2,1H3,(H,27,33) |
| InChIKey | AIMFSWHBPVPPOS-UHFFFAOYSA-N |
| XLogP | 15.02 |
| TPSA | 553.44 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2501.79 |
| LogP ≤ 5 | 15.02 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 42 |