C158H171F11N26O24S — CID 158859789
N-[5-[6-(1,4-dioxan-2-ylmethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-[5-[[3-(2-fluoropropan-2-yl)benzoyl]amino]-2-methyl-3-pyridinyl]-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 158859789) has the molecular formula C158H171F11N26O24S and a molecular weight of 3059.31 g/mol. Its IUPAC name is N-[5-[6-(1,4-dioxan-2-ylmethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-[5-[[3-(2-fluoropropan-2-yl)benzoyl]amino]-2-methyl-3-pyridinyl]-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
| Compound Name | N-[5-[6-(1,4-dioxan-2-ylmethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-[5-[[3-(2-fluoropropan-2-yl)benzoyl]amino]-2-methyl-3-pyridinyl]-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 158859789 |
| Molecular Formula | C158H171F11N26O24S |
| Molecular Weight | 3059.31 g/mol |
| Exact Mass | 3057.25 |
| IUPAC Name | N-[5-[6-(1,4-dioxan-2-ylmethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;5-[5-[[3-(2-fluoropropan-2-yl)benzoyl]amino]-2-methyl-3-pyridinyl]-N-methyl-3-morpholin-4-ylpyridine-2-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-[[(2R)-2-hydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide |
| SMILES | CNC(=O)c1ncc(-c2cc(NC(=O)c3cccc(C(C)(C)F)c3)cnc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NC[C@@H](C)O)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cnc(OC[C@H](C)O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OCC2COCCO2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C1=CCC(=O)C(N2CCOCC2)=C1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OC[C@H](C)O)c(N2CCOCC2)c1 |
| InChI | InChI=1S/C28H29F3N4O5.C27H32FN5O4.C27H30FN5O3.C26H28F3N5O3.C26H30N4O6S.C24H22F3N3O3/c1-18-24(13-22(15-32-18)34-26(36)19-3-2-4-21(11-19)28(29,30)31)20-12-25(35-5-7-37-8-6-35)27(33-14-20)40-17-23-16-38-9-10-39-23;1-17(34)16-37-26-23(33-7-9-36-10-8-33)11-20(14-31-26)22-13-21(15-30-18(22)2)32-25(35)19-5-6-29-24(12-19)27(3,4)28;1-17-22(19-13-23(33-8-10-36-11-9-33)24(31-15-19)26(35)29-4)14-21(16-30-17)32-25(34)18-6-5-7-20(12-18)27(2,3)28;1-16-3-4-20(32-25(36)18-5-6-30-22(11-18)26(27,28)29)14-21(16)19-12-23(31-15-17(2)35)33-24(13-19)34-7-9-37-10-8-34;1-17-4-5-21(29-25(32)19-6-7-27-24(13-19)37(3,33)34)14-22(17)20-12-23(30-8-10-35-11-9-30)26(28-15-20)36-16-18(2)31;1-15-20(16-5-6-22(31)21(12-16)30-7-9-33-10-8-30)13-19(14-28-15)29-23(32)17-3-2-4-18(11-17)24(25,26)27/h2-4,11-15,23H,5-10,16-17H2,1H3,(H,34,36);5-6,11-15,17,34H,7-10,16H2,1-4H3,(H,32,35);5-7,12-16H,8-11H2,1-4H3,(H,29,35)(H,32,34);3-6,11-14,17,35H,7-10,15H2,1-2H3,(H,31,33)(H,32,36);4-7,12-15,18,31H,8-11,16H2,1-3H3,(H,29,32);2-5,11-14H,6-10H2,1H3,(H,29,32)/t;17-;;17-;18-;/m.0.10./s1 |
| InChIKey | JAMZMDRWEOENGA-LEEGGBIZSA-N |
| XLogP | 23.65 |
| TPSA | 603.28 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 220 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3059.31 |
| LogP ≤ 5 | 23.65 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 43 |