C135H123ClF11N35O14 — CID 157276475
5-[3-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 157276475) has the molecular formula C135H123ClF11N35O14 and a molecular weight of 2704.13 g/mol. Its IUPAC name is 5-[3-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
| Compound Name | 5-[3-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
|---|---|
| PubChem CID | 157276475 |
| Molecular Formula | C135H123ClF11N35O14 |
| Molecular Weight | 2704.13 g/mol |
| Exact Mass | 2701.95 |
| IUPAC Name | 5-[3-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[(3-hydroxyphenyl)methyl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(3-hydroxyphenyl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
| SMILES | Cc1cc(Cl)cc(-c2cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)c1.Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2cccc(O)c2)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(-c3cccc(O)c3)cc(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(-c3cccc(O)c3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(Cc3cccc(O)c3)c2)cn1 |
| InChI | InChI=1S/C28H24ClF4N7O2.C27H23F4N7O3.2C27H26FN7O3.C26H24FN7O3/c1-16-8-17(11-20(29)9-16)18-10-19(28(31,32)33)13-22(12-18)36-21-2-3-24(34-14-21)26(41)38-39-27-35-15-23(30)25(37-27)40-4-6-42-7-5-40;28-22-15-33-26(35-24(22)38-6-8-41-9-7-38)37-36-25(40)23-5-4-19(14-32-23)34-20-11-17(10-18(13-20)27(29,30)31)16-2-1-3-21(39)12-16;1-17-11-19(18-3-2-4-22(36)14-18)13-21(12-17)31-20-5-6-24(29-15-20)26(37)33-34-27-30-16-23(28)25(32-27)35-7-9-38-10-8-35;28-23-17-30-27(32-25(23)35-9-11-38-12-10-35)34-33-26(37)24-8-7-21(16-29-24)31-20-5-1-3-18(14-20)13-19-4-2-6-22(36)15-19;27-22-16-29-26(31-24(22)34-9-11-37-12-10-34)33-32-25(36)23-8-7-20(15-28-23)30-19-5-1-3-17(13-19)18-4-2-6-21(35)14-18/h2-3,8-15,36H,4-7H2,1H3,(H,38,41)(H,35,37,39);1-5,10-15,34,39H,6-9H2,(H,36,40)(H,33,35,37);2-6,11-16,31,36H,7-10H2,1H3,(H,33,37)(H,30,32,34);1-8,14-17,31,36H,9-13H2,(H,33,37)(H,30,32,34);1-8,13-16,30,35H,9-12H2,(H,32,36)(H,29,31,33) |
| InChIKey | AZDXUISRUCXHQO-UHFFFAOYSA-N |
| XLogP | 22.13 |
| TPSA | 602.42 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2704.13 |
| LogP ≤ 5 | 22.13 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 44 |
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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