C153H151F18N25O19S — CID 158498722
N-[5-[6-(azetidin-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 158498722) has the molecular formula C153H151F18N25O19S and a molecular weight of 3018.08 g/mol. Its IUPAC name is N-[5-[6-(azetidin-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
| Compound Name | N-[5-[6-(azetidin-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 158498722 |
| Molecular Formula | C153H151F18N25O19S |
| Molecular Weight | 3018.08 g/mol |
| Exact Mass | 3016.11 |
| IUPAC Name | N-[5-[6-(azetidin-3-yloxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-(2-cyanopropan-2-yl)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;4-(hydroxymethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-[6-(methylsulfonylmethyl)-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide |
| SMILES | CCn1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc(N2CCOCC2)c1=O.COc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccc(CO)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(C(C)(C)C#N)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(CS(C)(=O)=O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CNC2)c(N2CCOCC2)c1 |
| InChI | InChI=1S/C27H26F3N5O2.C26H26F3N5O3.C26H26F3N3O4.C26H26F3N3O3.C25H25F3N4O4S.C23H22F3N5O3/c1-17-22(13-21(15-32-17)34-25(36)18-5-4-6-20(11-18)27(28,29)30)19-12-23(35-7-9-37-10-8-35)24(33-14-19)26(2,3)16-31;1-16-22(11-20(13-31-16)33-24(35)17-3-2-4-19(9-17)26(27,28)29)18-10-23(34-5-7-36-8-6-34)25(32-12-18)37-21-14-30-15-21;1-16-3-6-20(30-24(34)17-4-5-18(15-33)22(11-17)26(27,28)29)13-21(16)19-12-23(25(35)31(2)14-19)32-7-9-36-10-8-32;1-3-31-16-19(14-23(25(31)34)32-9-11-35-12-10-32)22-15-21(8-7-17(22)2)30-24(33)18-5-4-6-20(13-18)26(27,28)29;1-16-21(12-20(14-29-16)31-24(33)17-4-3-5-19(10-17)25(26,27)28)18-11-23(32-6-8-36-9-7-32)22(30-13-18)15-37(2,34)35;1-14-18(16-9-19(22(33-2)29-12-16)31-5-7-34-8-6-31)11-17(13-28-14)30-21(32)15-3-4-27-20(10-15)23(24,25)26/h4-6,11-15H,7-10H2,1-3H3,(H,34,36);2-4,9-13,21,30H,5-8,14-15H2,1H3,(H,33,35);3-6,11-14,33H,7-10,15H2,1-2H3,(H,30,34);4-8,13-16H,3,9-12H2,1-2H3,(H,30,33);3-5,10-14H,6-9,15H2,1-2H3,(H,31,33);3-4,9-13H,5-8H2,1-2H3,(H,30,32) |
| InChIKey | HJPRWMXLYSYCCY-UHFFFAOYSA-N |
| XLogP | 26.25 |
| TPSA | 518.08 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 216 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3018.08 |
| LogP ≤ 5 | 26.25 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 38 |