C147H146F12N54O14 — CID 159190890
N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(5-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 159190890) has the molecular formula C147H146F12N54O14 and a molecular weight of 3121.12 g/mol. Its IUPAC name is N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(5-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
| Compound Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(5-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
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| PubChem CID | 159190890 |
| Molecular Formula | C147H146F12N54O14 |
| Molecular Weight | 3121.12 g/mol |
| Exact Mass | 3119.22 |
| IUPAC Name | N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(3-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-hydroxy-5-(5-methylpyrazolidin-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-pyridin-3-ylpyrimidin-2-yl)-5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
| SMILES | CC1CCN(c2cc(O)cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)N1.CC1CCNN1c1cc(O)cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cn(-c2cc(Nc3ccc(C(=O)NNc4ncc(F)c(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(O)cc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1.Cc1cn(-c2cccc(Nc3ccc(C(=O)NNc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cn1 |
| InChI | InChI=1S/C26H19F4N9O.C25H23F4N9O2.C24H24FN9O3.2C24H28FN9O3.C24H24FN9O2/c1-15-13-39(14-34-15)20-8-17(26(28,29)30)7-19(9-20)35-18-4-5-22(32-11-18)24(40)37-38-25-33-12-21(27)23(36-25)16-3-2-6-31-10-16;1-15-13-38(14-32-15)19-9-16(25(27,28)29)8-18(10-19)33-17-2-3-21(30-11-17)23(39)35-36-24-31-12-20(26)22(34-24)37-4-6-40-7-5-37;1-15-13-34(14-28-15)18-8-17(9-19(35)10-18)29-16-2-3-21(26-11-16)23(36)31-32-24-27-12-20(25)22(30-24)33-4-6-37-7-5-33;1-15-4-5-34(32-15)18-10-17(11-19(35)12-18)28-16-2-3-21(26-13-16)23(36)30-31-24-27-14-20(25)22(29-24)33-6-8-37-9-7-33;1-15-4-5-28-34(15)18-10-17(11-19(35)12-18)29-16-2-3-21(26-13-16)23(36)31-32-24-27-14-20(25)22(30-24)33-6-8-37-9-7-33;1-16-14-34(15-28-16)19-4-2-3-17(11-19)29-18-5-6-21(26-12-18)23(35)31-32-24-27-13-20(25)22(30-24)33-7-9-36-10-8-33/h2-14,35H,1H3,(H,37,40)(H,33,36,38);2-3,8-14,33H,4-7H2,1H3,(H,35,39)(H,31,34,36);2-3,8-14,29,35H,4-7H2,1H3,(H,31,36)(H,27,30,32);2-3,10-15,28,32,35H,4-9H2,1H3,(H,30,36)(H,27,29,31);2-3,10-15,28-29,35H,4-9H2,1H3,(H,31,36)(H,27,30,32);2-6,11-15,29H,7-10H2,1H3,(H,31,35)(H,27,30,32) |
| InChIKey | KOBNTQRQZOYLSW-UHFFFAOYSA-N |
| XLogP | 18.65 |
| TPSA | 788.73 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 62 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 227 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3121.12 |
| LogP ≤ 5 | 18.65 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 62 |
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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