C152H151Cl3F6N44O17 — CID 162206511
4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(3,5-dihydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide (PubChem CID 162206511) has the molecular formula C152H151Cl3F6N44O17 and a molecular weight of 3086.52 g/mol. Its IUPAC name is 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(3,5-dihydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide.
| Compound Name | 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(3,5-dihydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide |
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| PubChem CID | 162206511 |
| Molecular Formula | C152H151Cl3F6N44O17 |
| Molecular Weight | 3086.52 g/mol |
| Exact Mass | 3083.13 |
| IUPAC Name | 4-chloro-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-(3-hydroxyphenyl)anilino]pyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-methylpyridine-2-carbohydrazide;5-[3-chloro-4-(3-hydroxyphenyl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(3,5-dihydroxyphenyl)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[3-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-[4-[(dimethylamino)methyl]anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide |
| SMILES | CN(C)Cc1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.CN(C)Cc1cccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)ncc1Nc1ccc(-c2cccc(O)c2)c(Cl)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc(Cl)c(Nc2ccc(-c3cccc(O)c3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cccc(O)c3)c(Cl)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(Cc3cc(O)cc(O)c3)c2)cn1 |
| InChI | InChI=1S/C27H25ClFN7O3.C27H26FN7O4.2C26H23ClFN7O3.2C23H27FN8O2/c1-16-11-23(26(38)34-35-27-31-14-22(29)25(33-27)36-7-9-39-10-8-36)30-15-24(16)32-18-5-6-20(21(28)13-18)17-3-2-4-19(37)12-17;28-23-16-30-27(32-25(23)35-6-8-39-9-7-35)34-33-26(38)24-5-4-20(15-29-24)31-19-3-1-2-17(11-19)10-18-12-21(36)14-22(37)13-18;27-20-13-22(25(37)33-34-26-30-14-21(28)24(32-26)35-8-10-38-11-9-35)29-15-23(20)31-18-6-4-16(5-7-18)17-2-1-3-19(36)12-17;27-21-13-17(4-6-20(21)16-2-1-3-19(36)12-16)31-18-5-7-23(29-14-18)25(37)33-34-26-30-15-22(28)24(32-26)35-8-10-38-11-9-35;1-31(2)15-16-3-5-17(6-4-16)27-18-7-8-20(25-13-18)22(33)29-30-23-26-14-19(24)21(28-23)32-9-11-34-12-10-32;1-31(2)15-16-4-3-5-17(12-16)27-18-6-7-20(25-13-18)22(33)29-30-23-26-14-19(24)21(28-23)32-8-10-34-11-9-32/h2-6,11-15,32,37H,7-10H2,1H3,(H,34,38)(H,31,33,35);1-5,11-16,31,36-37H,6-10H2,(H,33,38)(H,30,32,34);2*1-7,12-15,31,36H,8-11H2,(H,33,37)(H,30,32,34);3-8,13-14,27H,9-12,15H2,1-2H3,(H,29,33)(H,26,28,30);3-7,12-14,27H,8-11,15H2,1-2H3,(H,29,33)(H,26,28,30) |
| InChIKey | ZSGMNOHYDCUULJ-UHFFFAOYSA-N |
| XLogP | 21.60 |
| TPSA | 733.43 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 222 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3086.52 |
| LogP ≤ 5 | 21.60 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 55 |
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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