C167H150F8N16O23 — CID 173080552
2-[[6-(5-ethoxy-2-fluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid;ethyl 2-[[6-(2-fluoro-5-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoate;5-fluoro-2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]benzoic acid;2-[[6-(2-fluoro-5-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-6-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-(trifluoromethyl)benzoic acid (PubChem CID 173080552) has the molecular formula C167H150F8N16O23 and a molecular weight of 2901.11 g/mol. Its IUPAC name is 2-[[6-(5-ethoxy-2-fluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid;ethyl 2-[[6-(2-fluoro-5-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoate;5-fluoro-2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]benzoic acid;2-[[6-(2-fluoro-5-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-6-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-(trifluoromethyl)benzoic acid.
| Compound Name | 2-[[6-(5-ethoxy-2-fluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid;ethyl 2-[[6-(2-fluoro-5-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoate;5-fluoro-2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]benzoic acid;2-[[6-(2-fluoro-5-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-6-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-(trifluoromethyl)benzoic acid |
|---|---|
| PubChem CID | 173080552 |
| Molecular Formula | C167H150F8N16O23 |
| Molecular Weight | 2901.11 g/mol |
| Exact Mass | 2899.09 |
| IUPAC Name | 2-[[6-(5-ethoxy-2-fluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid;ethyl 2-[[6-(2-fluoro-5-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoate;5-fluoro-2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]benzoic acid;2-[[6-(2-fluoro-5-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(2-fluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-6-methylbenzoic acid;2-[[6-(3-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-(trifluoromethyl)benzoic acid |
| SMILES | CCOC(=O)c1cc(C)ccc1Nc1cnc(-c2cc(OC)ccc2F)c(C)c1.CCOc1ccc(F)c(-c2ccc(Nc3ccc(C)cc3C(=O)O)cn2)c1.COc1ccc(F)c(-c2ncc(Nc3ccc(C)cc3C(=O)O)cc2C)c1.COc1cccc(-c2ncc(Nc3ccc(C(F)(F)F)cc3C(=O)O)cc2C)c1.COc1cccc(-c2ncc(Nc3ccc(C)cc3C(=O)O)cc2C)c1.COc1cccc(-c2ncc(Nc3ccc(F)cc3C(=O)O)cc2C)c1.COc1cccc(-c2ncc(Nc3cccc(C)c3C(=O)O)cc2C)c1.Cc1ccc(Nc2ccc(-c3ccccc3F)nc2)c(C(=O)O)c1 |
| InChI | InChI=1S/C23H23FN2O3.C21H17F3N2O3.2C21H19FN2O3.2C21H20N2O3.C20H17FN2O3.C19H15FN2O2/c1-5-29-23(27)19-10-14(2)6-9-21(19)26-16-11-15(3)22(25-13-16)18-12-17(28-4)7-8-20(18)24;1-12-8-15(11-25-19(12)13-4-3-5-16(9-13)29-2)26-18-7-6-14(21(22,23)24)10-17(18)20(27)28;1-12-4-7-19(17(8-12)21(25)26)24-14-9-13(2)20(23-11-14)16-10-15(27-3)5-6-18(16)22;1-3-27-15-6-7-18(22)16(11-15)19-9-5-14(12-23-19)24-20-8-4-13(2)10-17(20)21(25)26;1-13-6-4-9-18(19(13)21(24)25)23-16-10-14(2)20(22-12-16)15-7-5-8-17(11-15)26-3;1-13-7-8-19(18(9-13)21(24)25)23-16-10-14(2)20(22-12-16)15-5-4-6-17(11-15)26-3;1-12-8-15(23-18-7-6-14(21)10-17(18)20(24)25)11-22-19(12)13-4-3-5-16(9-13)26-2;1-12-6-8-18(15(10-12)19(23)24)22-13-7-9-17(21-11-13)14-4-2-3-5-16(14)20/h6-13,26H,5H2,1-4H3;3-11,26H,1-2H3,(H,27,28);4-11,24H,1-3H3,(H,25,26);4-12,24H,3H2,1-2H3,(H,25,26);2*4-12,23H,1-3H3,(H,24,25);3-11,23H,1-2H3,(H,24,25);2-11,22H,1H3,(H,23,24) |
| InChIKey | WMARGDCIQOMCBN-UHFFFAOYSA-N |
| XLogP | 39.87 |
| TPSA | 551.37 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 214 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2901.11 |
| LogP ≤ 5 | 39.87 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 32 |