C296H267Cl7F15N107O24 — CID 161470465
benzene;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-4-pyrazol-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridazin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;bis(5-(3-chloro-4-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-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyridazin-3-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrimidin-5-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide (PubChem CID 161470465) has the molecular formula C296H267Cl7F15N107O24 and a molecular weight of 6240.26 g/mol. Its IUPAC name is benzene;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-4-pyrazol-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridazin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;bis(5-(3-chloro-4-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-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyridazin-3-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrimidin-5-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide.
| Compound Name | benzene;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-4-pyrazol-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridazin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;bis(5-(3-chloro-4-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-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyridazin-3-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrimidin-5-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
|---|---|
| PubChem CID | 161470465 |
| Molecular Formula | C296H267Cl7F15N107O24 |
| Molecular Weight | 6240.26 g/mol |
| Exact Mass | 6233.05 |
| IUPAC Name | benzene;5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-6-methyl-4-pyridin-3-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(2-chloro-4-pyrazol-1-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-5-pyridazin-4-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;5-(3-chloro-4-pyrimidin-2-ylanilino)-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;bis(5-(3-chloro-4-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-[4-(1H-pyrazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-pyridazin-3-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-2-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-pyrimidin-5-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[4-pyrimidin-5-yl-3-(trifluoromethyl)anilino]pyridine-2-carbohydrazide |
| SMILES | Cc1cc(-c2cccnc2)cc(Cl)c1Nc1ccc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)nc1.Cc1ccnnc1-c1cc(Cl)cc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)c1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cc(Cl)cc(-c3ccnnc3)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ccn[nH]3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cncnc3)c(C(F)(F)F)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cncnc3)c(Cl)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cncnc3)c(Cl)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3cncnc3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ncccn3)c(Cl)c2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-c3ncccn3)cc2)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2ccc(-n3cccn3)cc2Cl)cn1.O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc(Nc2cccc(-c3cccnn3)c2)cn1.c1ccccc1 |
| InChI | InChI=1S/C26H24ClFN8O2.C25H23ClFN9O2.C25H21F4N9O2.4C24H21ClFN9O2.3C24H22FN9O2.C23H21ClFN9O2.C23H22FN9O2.C6H6/c1-16-11-18(17-3-2-6-29-13-17)12-20(27)23(16)32-19-4-5-22(30-14-19)25(37)34-35-26-31-15-21(28)24(33-26)36-7-9-38-10-8-36;1-15-4-5-30-33-22(15)16-10-17(26)12-19(11-16)31-18-2-3-21(28-13-18)24(37)34-35-25-29-14-20(27)23(32-25)36-6-8-38-9-7-36;26-20-13-33-24(35-22(20)38-5-7-40-8-6-38)37-36-23(39)21-4-2-17(12-32-21)34-16-1-3-18(15-10-30-14-31-11-15)19(9-16)25(27,28)29;25-18-12-15(2-4-17(18)21-27-6-1-7-28-21)31-16-3-5-20(29-13-16)23(36)33-34-24-30-14-19(26)22(32-24)35-8-10-37-11-9-35;2*25-19-9-16(1-3-18(19)15-10-27-14-28-11-15)31-17-2-4-21(29-12-17)23(36)33-34-24-30-13-20(26)22(32-24)35-5-7-37-8-6-35;25-17-9-16(15-3-4-29-30-12-15)10-19(11-17)31-18-1-2-21(27-13-18)23(36)33-34-24-28-14-20(26)22(32-24)35-5-7-37-8-6-35;25-19-15-29-24(31-22(19)34-10-12-36-13-11-34)33-32-23(35)20-7-6-18(14-28-20)30-17-4-2-16(3-5-17)21-26-8-1-9-27-21;25-20-14-29-24(31-22(20)34-7-9-36-10-8-34)33-32-23(35)21-6-5-19(13-28-21)30-18-3-1-16(2-4-18)17-11-26-15-27-12-17;25-19-15-27-24(30-22(19)34-9-11-36-12-10-34)33-32-23(35)21-7-6-18(14-26-21)29-17-4-1-3-16(13-17)20-5-2-8-28-31-20;24-17-12-16(34-7-1-6-28-34)3-5-19(17)29-15-2-4-20(26-13-15)22(35)31-32-23-27-14-18(25)21(30-23)33-8-10-36-11-9-33;24-18-14-26-23(29-21(18)33-9-11-35-12-10-33)32-31-22(34)20-6-5-17(13-25-20)28-16-3-1-15(2-4-16)19-7-8-27-30-19;1-2-4-6-5-3-1/h2-6,11-15,32H,7-10H2,1H3,(H,34,37)(H,31,33,35);2-5,10-14,31H,6-9H2,1H3,(H,34,37)(H,29,32,35);1-4,9-14,34H,5-8H2,(H,36,39)(H,33,35,37);1-7,12-14,31H,8-11H2,(H,33,36)(H,30,32,34);2*1-4,9-14,31H,5-8H2,(H,33,36)(H,30,32,34);1-4,9-14,31H,5-8H2,(H,33,36)(H,28,32,34);1-9,14-15,30H,10-13H2,(H,32,35)(H,29,31,33);1-6,11-15,30H,7-10H2,(H,32,35)(H,29,31,33);1-8,13-15,29H,9-12H2,(H,32,35)(H,27,30,33);1-7,12-14,29H,8-11H2,(H,31,35)(H,27,30,32);1-8,13-14,28H,9-12H2,(H,27,30)(H,31,34)(H,26,29,32);1-6H |
| InChIKey | WCZYBNWWPFJPKL-UHFFFAOYSA-N |
| XLogP | 41.82 |
| TPSA | 1543.01 Ų |
| H-Bond Donors | 37 |
| H-Bond Acceptors | 118 |
| Rotatable Bonds | 84 |
| Heavy Atoms | 449 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6240.26 |
| LogP ≤ 5 | 41.82 |
| H-Bond Donors ≤ 5 | 37 |
| H-Bond Acceptors ≤ 10 | 118 |