C245H218Cl4F16N88O20 — CID 159266058
5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-5-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-5-pyrimidin-4-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyridin-3-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrimidin-5-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 159266058) has the molecular formula C245H218Cl4F16N88O20 and a molecular weight of 5160.82 g/mol. Its IUPAC name is 5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-5-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-5-pyrimidin-4-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyridin-3-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrimidin-5-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
| Compound Name | 5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-5-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-5-pyrimidin-4-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyridin-3-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrimidin-5-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
|---|---|
| PubChem CID | 159266058 |
| Molecular Formula | C245H218Cl4F16N88O20 |
| Molecular Weight | 5160.82 g/mol |
| Exact Mass | 5155.72 |
| IUPAC Name | 5-(3-chloro-5-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyrimidin-5-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-methyl-5-pyrimidin-4-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyridin-3-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-pyrimidin-5-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
| SMILES | Cc1cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccncn2)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(-c3ccncn3)cc(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(-c3cncnc3)cc(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(-c3cccnc3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(-c3ccncn3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(-c3cncnc3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(-c3ncccn3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(-c3cccnc3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(-c3cncnc3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(-c3ncccn3)c2)cn1 |
| InChI | InChI=1S/C25H22ClFN8O2.2C25H21F4N9O2.C25H24FN9O2.C25H23FN8O2.3C24H21ClFN9O2.2C24H22FN9O2/c26-18-10-17(16-2-1-5-28-13-16)11-20(12-18)31-19-3-4-22(29-14-19)24(36)33-34-25-30-15-21(27)23(32-25)35-6-8-37-9-7-35;26-20-13-33-24(35-22(20)38-3-5-40-6-4-38)37-36-23(39)21-2-1-18(12-32-21)34-19-8-15(16-10-30-14-31-11-16)7-17(9-19)25(27,28)29;26-19-13-32-24(35-22(19)38-5-7-40-8-6-38)37-36-23(39)21-2-1-17(12-31-21)34-18-10-15(20-3-4-30-14-33-20)9-16(11-18)25(27,28)29;1-16-10-17(21-4-5-27-15-30-21)12-19(11-16)31-18-2-3-22(28-13-18)24(36)33-34-25-29-14-20(26)23(32-25)35-6-8-37-9-7-35;26-21-16-29-25(31-23(21)34-9-11-36-12-10-34)33-32-24(35)22-7-6-20(15-28-22)30-19-5-1-3-17(13-19)18-4-2-8-27-14-18;25-16-10-15(21-27-4-1-5-28-21)11-18(12-16)31-17-2-3-20(29-13-17)23(36)33-34-24-30-14-19(26)22(32-24)35-6-8-37-9-7-35;25-17-7-15(16-10-27-14-28-11-16)8-19(9-17)31-18-1-2-21(29-12-18)23(36)33-34-24-30-13-20(26)22(32-24)35-3-5-37-6-4-35;25-16-9-15(20-3-4-27-14-30-20)10-18(11-16)31-17-1-2-21(28-12-17)23(36)33-34-24-29-13-19(26)22(32-24)35-5-7-37-8-6-35;25-19-15-29-24(31-22(19)34-9-11-36-12-10-34)33-32-23(35)20-6-5-18(14-28-20)30-17-4-1-3-16(13-17)21-26-7-2-8-27-21;25-20-14-29-24(31-22(20)34-6-8-36-9-7-34)33-32-23(35)21-5-4-19(13-28-21)30-18-3-1-2-16(10-18)17-11-26-15-27-12-17/h1-5,10-15,31H,6-9H2,(H,33,36)(H,30,32,34);1-2,7-14,34H,3-6H2,(H,36,39)(H,33,35,37);1-4,9-14,34H,5-8H2,(H,36,39)(H,32,35,37);2-5,10-15,31H,6-9H2,1H3,(H,33,36)(H,29,32,34);1-8,13-16,30H,9-12H2,(H,32,35)(H,29,31,33);1-5,10-14,31H,6-9H2,(H,33,36)(H,30,32,34);1-2,7-14,31H,3-6H2,(H,33,36)(H,30,32,34);1-4,9-14,31H,5-8H2,(H,33,36)(H,29,32,34);1-8,13-15,30H,9-12H2,(H,32,35)(H,29,31,33);1-5,10-15,30H,6-9H2,(H,32,35)(H,29,31,33) |
| InChIKey | KXCQTLWZUBWXEX-UHFFFAOYSA-N |
| XLogP | 34.22 |
| TPSA | 1275.02 Ų |
| H-Bond Donors | 30 |
| H-Bond Acceptors | 98 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 373 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5160.82 |
| LogP ≤ 5 | 34.22 |
| H-Bond Donors ≤ 5 | 30 |
| H-Bond Acceptors ≤ 10 | 98 |