C419H331BrF45N89O60S2 — CID 158795693
4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyridine-3-carbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2,4-difluoropyrimidin-5-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-1,3-thiazol-5-yl)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-[[(5-methylpyrazole-1-carbonyl)amino]methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 158795693) has the molecular formula C419H331BrF45N89O60S2 and a molecular weight of 8571.77 g/mol. Its IUPAC name is 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyridine-3-carbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2,4-difluoropyrimidin-5-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-1,3-thiazol-5-yl)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-[[(5-methylpyrazole-1-carbonyl)amino]methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
| Compound Name | 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyridine-3-carbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2,4-difluoropyrimidin-5-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-1,3-thiazol-5-yl)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-[[(5-methylpyrazole-1-carbonyl)amino]methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158795693 |
| Molecular Formula | C419H331BrF45N89O60S2 |
| Molecular Weight | 8571.77 g/mol |
| Exact Mass | 8565.35 |
| IUPAC Name | 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-[(E)-but-2-enoyl]-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(but-2-ynoylamino)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyridine-3-carbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2,4-difluoropyrimidin-5-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-1,3-thiazol-5-yl)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[3-(3-methylbut-2-enoyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-[[(5-methylpyrazole-1-carbonyl)amino]methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide |
| SMILES | C/C=C/C(=O)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(-n2cnc(C)c2)c1.C=CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(OC(F)(F)F)c1.C=Cc1nccn1-c1ccc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc1C(F)(F)F.CC#CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(-n2cnc(C)c2)c1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4cccnc4F)cc(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4cnc(F)s4)cc(-n4cnc(C)c4)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(=O)C=C(C)C)cc(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(-c4cc(Br)no4)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(-c4cnc(F)nc4F)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)C4(C#N)CC4)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)c4c(F)ccnc4F)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4c(F)ccnc4F)cc3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4cccnc4F)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4cnc(F)s4)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CNC(=O)n4nccc4C)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(-c4cnc(F)nc4F)c3)cc2)ccn1 |
| InChI | InChI=1S/C28H21F4N5O4.C28H25N7O4.C28H26N6O4.C27H18F5N5O4.C27H24F3N7O4.C27H21F2N5O4.C27H22FN7O3S.C26H19F4N5O4S.C26H19F4N5O3.C26H21F3N6O3.C26H20F3N5O4.C26H23F3N4O4.C25H17F5N6O3.C24H17BrF3N5O4.C24H20F3N5O5.C24H18F2N6O3/c1-33-26(39)23-15-20(10-12-34-23)41-19-8-6-17(7-9-19)36-27(40)37-18-5-4-16(22(14-18)28(30,31)32)13-24(38)21-3-2-11-35-25(21)29;1-4-5-26(36)32-20-12-21(14-22(13-20)35-16-18(2)31-17-35)34-28(38)33-19-6-8-23(9-7-19)39-24-10-11-30-25(15-24)27(37)29-3;1-4-5-26(35)19-12-21(14-22(13-19)34-16-18(2)31-17-34)33-28(37)32-20-6-8-23(9-7-20)38-24-10-11-30-25(15-24)27(36)29-3;1-33-25(39)21-13-17(8-10-34-21)41-16-5-2-14(3-6-16)36-26(40)37-15-4-7-18(19(12-15)27(30,31)32)23(38)22-20(28)9-11-35-24(22)29;1-16-9-12-34-37(16)26(40)33-15-17-3-4-19(13-22(17)27(28,29)30)36-25(39)35-18-5-7-20(8-6-18)41-21-10-11-32-23(14-21)24(38)31-2;1-30-26(36)22-15-20(10-12-31-22)38-19-8-6-18(7-9-19)34-27(37)33-17-4-2-16(3-5-17)14-23(35)24-21(28)11-13-32-25(24)29;1-16-14-35(15-32-16)20-10-17(24-13-31-26(28)39-24)9-19(11-20)34-27(37)33-18-3-5-21(6-4-18)38-22-7-8-30-23(12-22)25(36)29-2;1-31-23(37)20-12-18(8-9-32-20)39-17-6-4-15(5-7-17)34-25(38)35-16-3-2-14(19(11-16)26(28,29)30)10-21(36)22-13-33-24(27)40-22;1-31-24(36)22-14-20(8-10-32-22)38-19-6-4-17(5-7-19)34-25(37)35-18-12-15(11-16(13-18)26(28,29)30)21-3-2-9-33-23(21)27;1-3-23-32-12-13-35(23)22-9-6-17(14-20(22)26(27,28)29)34-25(37)33-16-4-7-18(8-5-16)38-19-10-11-31-21(15-19)24(36)30-2;1-31-23(36)21-13-18(8-11-32-21)38-17-5-2-15(3-6-17)33-24(37)34-16-4-7-19(20(12-16)26(27,28)29)22(35)25(14-30)9-10-25;1-15(2)10-23(34)16-11-17(26(27,28)29)13-19(12-16)33-25(36)32-18-4-6-20(7-5-18)37-21-8-9-31-22(14-21)24(35)30-3;1-31-22(37)20-11-16(8-9-32-20)39-15-5-2-13(3-6-15)34-24(38)35-14-4-7-17(19(10-14)25(28,29)30)18-12-33-23(27)36-21(18)26;1-29-22(34)19-11-16(8-9-30-19)36-15-5-2-13(3-6-15)31-23(35)32-14-4-7-17(18(10-14)24(26,27)28)20-12-21(25)33-37-20;1-3-21(33)30-15-10-16(12-19(11-15)37-24(25,26)27)32-23(35)31-14-4-6-17(7-5-14)36-18-8-9-29-20(13-18)22(34)28-2;1-27-22(33)20-12-18(9-10-28-20)35-17-7-5-15(6-8-17)30-24(34)31-16-4-2-3-14(11-16)19-13-29-23(26)32-21(19)25/h2-12,14-15H,13H2,1H3,(H,33,39)(H2,36,37,40);6-17H,1-3H3,(H,29,37)(H,32,36)(H2,33,34,38);4-17H,1-3H3,(H,29,36)(H2,32,33,37);2-13H,1H3,(H,33,39)(H2,36,37,40);3-14H,15H2,1-2H3,(H,31,38)(H,33,40)(H2,35,36,39);2-13,15H,14H2,1H3,(H,30,36)(H2,33,34,37);3-15H,1-2H3,(H,29,36)(H2,33,34,37);2-9,11-13H,10H2,1H3,(H,31,37)(H2,34,35,38);2-14H,1H3,(H,31,36)(H2,34,35,37);3-15H,1H2,2H3,(H,30,36)(H2,33,34,37);2-8,11-13H,9-10H2,1H3,(H,31,36)(H2,33,34,37);4-14H,1-3H3,(H,30,35)(H2,32,33,36);2-12H,1H3,(H,31,37)(H2,34,35,38);2-12H,1H3,(H,29,34)(H2,31,32,35);3-13H,1H2,2H3,(H,28,34)(H,30,33)(H2,31,32,35);2-13H,1H3,(H,27,33)(H2,30,31,34)/b;;5-4+;;;;;;;;;;;;; |
| InChIKey | ISVJPHOPHOKXCL-KWRJYJAOSA-N |
| XLogP | 87.52 |
| TPSA | 1961.44 Ų |
| H-Bond Donors | 51 |
| H-Bond Acceptors | 100 |
| Rotatable Bonds | 113 |
| Heavy Atoms | 616 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 8571.77 |
| LogP ≤ 5 | 87.52 |
| H-Bond Donors ≤ 5 | 51 |
| H-Bond Acceptors ≤ 10 | 100 |