C138H146F12N22O18 — CID 158739149
N-[5-[6-(3-hydroxycyclohexyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylazetidin-3-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 158739149) has the molecular formula C138H146F12N22O18 and a molecular weight of 2628.80 g/mol. Its IUPAC name is N-[5-[6-(3-hydroxycyclohexyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylazetidin-3-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
| Compound Name | N-[5-[6-(3-hydroxycyclohexyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylazetidin-3-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 158739149 |
| Molecular Formula | C138H146F12N22O18 |
| Molecular Weight | 2628.80 g/mol |
| Exact Mass | 2627.10 |
| IUPAC Name | N-[5-[6-(3-hydroxycyclohexyl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[(1S,3S)-3-hydroxycyclopentyl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylazetidin-3-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide |
| SMILES | COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)C)c3)cnc2C)cc1N1CCOCC1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CC3(COC3)C2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCCC(O)C2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CN(C)C2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(O[C@H]2CC[C@H](O)C2)c(N2CCOCC2)c1 |
| InChI | InChI=1S/C29H29F3N4O4.C29H31F3N4O4.C28H29F3N4O4.C27H28F3N5O3.C25H29N5O3/c1-18-24(11-22(15-33-18)35-26(37)19-3-2-4-21(9-19)29(30,31)32)20-10-25(36-5-7-38-8-6-36)27(34-14-20)40-23-12-28(13-23)16-39-17-28;1-18-25(14-22(17-33-18)35-27(38)19-4-2-5-21(12-19)29(30,31)32)20-13-26(36-8-10-39-11-9-36)28(34-16-20)40-24-7-3-6-23(37)15-24;1-17-24(13-21(16-32-17)34-26(37)18-3-2-4-20(11-18)28(29,30)31)19-12-25(35-7-9-38-10-8-35)27(33-15-19)39-23-6-5-22(36)14-23;1-17-23(12-21(14-31-17)33-25(36)18-4-3-5-20(10-18)27(28,29)30)19-11-24(35-6-8-37-9-7-35)26(32-13-19)38-22-15-34(2)16-22;1-16(2)22-11-18(5-6-26-22)24(31)29-20-13-21(17(3)27-15-20)19-12-23(25(32-4)28-14-19)30-7-9-33-10-8-30/h2-4,9-11,14-15,23H,5-8,12-13,16-17H2,1H3,(H,35,37);2,4-5,12-14,16-17,23-24,37H,3,6-11,15H2,1H3,(H,35,38);2-4,11-13,15-16,22-23,36H,5-10,14H2,1H3,(H,34,37);3-5,10-14,22H,6-9,15-16H2,1-2H3,(H,33,36);5-6,11-16H,7-10H2,1-4H3,(H,29,31)/t;;22-,23-;;/m..0../s1 |
| InChIKey | IMBHKEFAWCKBBH-DSLHPEGSSA-N |
| XLogP | 23.53 |
| TPSA | 448.72 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 190 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2628.80 |
| LogP ≤ 5 | 23.53 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 35 |