C159H161ClF18N22O27 — CID 158204958
5-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 158204958) has the molecular formula C159H161ClF18N22O27 and a molecular weight of 3189.58 g/mol. Its IUPAC name is 5-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 5-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 158204958 |
| Molecular Formula | C159H161ClF18N22O27 |
| Molecular Weight | 3189.58 g/mol |
| Exact Mass | 3187.13 |
| IUPAC Name | 5-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | COCCNc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1CCOCC1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)c(Cl)cn2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(O)CCOCC2)c1.Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOC2=O)nc(C2(O)CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2(O)CCOCC2)c1 |
| InChI | InChI=1S/C27H27ClF3N3O5.C27H25F3N4O5.C27H28F3N3O5.C26H28F3N5O3.C26H27F3N4O4.C26H26F3N3O5/c1-15-2-3-18(33-26(37)24-11-21(27(29,30)31)22(28)12-32-24)10-20(15)17-8-23(16-4-6-38-7-5-16)34-25(9-17)39-14-19(36)13-35;1-16-21(14-20(15-31-16)32-24(35)17-3-2-4-19(11-17)27(28,29)30)18-12-22(26(37)5-8-38-9-6-26)33-23(13-18)34-7-10-39-25(34)36;1-16-2-3-21(32-26(36)19-8-20(13-31-12-19)27(28,29)30)11-23(16)18-9-24(17-4-6-37-7-5-17)33-25(10-18)38-15-22(35)14-34;1-16-3-4-19(32-25(35)18-5-8-30-23(13-18)26(27,28)29)14-20(16)22-15-21(17-6-10-37-11-7-17)24(34-33-22)31-9-12-36-2;1-16-21(14-20(15-31-16)32-24(35)17-3-2-4-19(11-17)26(27,28)29)18-12-22(25(36)5-9-37-10-6-25)33-23(13-18)30-7-8-34;1-16-2-3-19(31-24(34)17-4-7-30-22(12-17)26(27,28)29)15-20(16)18-13-21(25(35)5-9-36-10-6-25)32-23(14-18)37-11-8-33/h2-3,8-12,16,19,35-36H,4-7,13-14H2,1H3,(H,33,37);2-4,11-15,37H,5-10H2,1H3,(H,32,35);2-3,8-13,17,22,34-35H,4-7,14-15H2,1H3,(H,32,36);3-5,8,13-15,17H,6-7,9-12H2,1-2H3,(H,31,34)(H,32,35);2-4,11-15,34,36H,5-10H2,1H3,(H,30,33)(H,32,35);2-4,7,12-15,33,35H,5-6,8-11H2,1H3,(H,31,34)/t19-;;22-;;;/m1.1.../s1 |
| InChIKey | GBJOZMBAZCNWDR-GWQMXFLASA-N |
| XLogP | 27.32 |
| TPSA | 670.14 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 227 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3189.58 |
| LogP ≤ 5 | 27.32 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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