5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione

C332H266F10N54O17S12 — CID 165044613

IUPAC5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
SMILESCC1=C(C#N)C(=O)N(C)C(=O)/C1=N/c1cnc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12.CCN1C(=O)/C(=N/c2ncc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3nsnc23)SC1=S.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5C(F)CC(F)CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5CCCCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(N=C4C(=O)C5CCCCC5C4=O)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(/N=C4\C(=O)C(=O)C5C(F)CC(F)CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(N=C4C(=O)C5CCCCC5C4=O)c4nsnc34)cc2)cc1.[C-]#[N+]/C(C#N)=N/c1cnc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12
InChIInChI=1S/C36H29F3N4O2S.C35H28F3N5O2S.2C34H27F2N5O2S.3C34H29N5O2S.C33H25N7O2S.C30H24N6OS3.C28H19N7S/c1-20-3-10-24(11-4-20)43(25-12-5-21(2)6-13-25)26-14-7-22(8-15-26)27-17-18-30(33-31(27)41-46-42-33)40-32-28-16-9-23(36(37,38)39)19-29(28)34(44)35(32)45;1-19-3-10-23(11-4-19)43(24-12-5-20(2)6-13-24)25-14-7-21(8-15-25)29-32-31(41-46-42-32)28(18-39-29)40-30-26-16-9-22(35(36,37)38)17-27(26)33(44)34(30)45;1-18-3-9-22(10-4-18)41(23-11-5-19(2)6-12-23)24-13-7-20(8-14-24)26-17-37-34(31-29(26)39-44-40-31)38-30-25-15-21(35)16-27(36)28(25)32(42)33(30)43;1-18-3-9-22(10-4-18)41(23-11-5-19(2)6-12-23)24-13-7-20(8-14-24)29-32-31(39-44-40-32)27(17-37-29)38-30-25-15-21(35)16-26(36)28(25)33(42)34(30)43;1-20-7-13-23(14-8-20)39(24-15-9-21(2)10-16-24)25-17-11-22(12-18-25)29-31-30(37-42-38-31)28(19-35-29)36-32-33(40)26-5-3-4-6-27(26)34(32)41;1-20-7-13-23(14-8-20)39(24-15-9-21(2)10-16-24)25-17-11-22(12-18-25)28-19-35-34(30-29(28)37-42-38-30)36-31-32(40)26-5-3-4-6-27(26)33(31)41;1-20-7-13-23(14-8-20)39(24-15-9-21(2)10-16-24)25-17-11-22(12-18-25)28-19-35-34(31-29(28)37-42-38-31)36-30-26-5-3-4-6-27(26)32(40)33(30)41;1-19-5-11-23(12-6-19)40(24-13-7-20(2)8-14-24)25-15-9-22(10-16-25)29-31-30(37-43-38-31)27(18-35-29)36-28-21(3)26(17-34)32(41)39(4)33(28)42;1-4-35-29(37)28(39-30(35)38)32-27-26-25(33-40-34-26)24(17-31-27)20-9-15-23(16-10-20)36(21-11-5-18(2)6-12-21)22-13-7-19(3)8-14-22;1-18-4-10-21(11-5-18)35(22-12-6-19(2)7-13-22)23-14-8-20(9-15-23)26-28-27(33-36-34-28)24(17-31-26)32-25(16-29)30-3/h3-8,10-15,17-18,23,28-29H,9,16,19H2,1-2H3;3-8,10-15,18,22,26-27H,9,16-17H2,1-2H3;3-14,17,21,25,27-28H,15-16H2,1-2H3;3-14,17,21,25-26,28H,15-16H2,1-2H3;3*7-19,26-27H,3-6H2,1-2H3;5-16,18H,1-4H3;5-17H,4H2,1-3H3;4-15,17H,1-2H3/b40-32-;40-30-;2*38-30-;;;36-30-;36-28+;32-28-;32-25+
InChIKeyQUBZBZKVMZCQNM-QQWKPIIGSA-N
MW5858.93 g/mol
LogP78.88
Rot. Bonds51

About 5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione

5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione (PubChem CID 165044613) has the molecular formula C332H266F10N54O17S12 and a molecular weight of 5858.93 g/mol. Its IUPAC name is 5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione.

Molecular Properties

Compound Name5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
PubChem CID165044613
Molecular FormulaC332H266F10N54O17S12
Molecular Weight5858.93 g/mol
Exact Mass5853.81
IUPAC Name5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione
SMILESCC1=C(C#N)C(=O)N(C)C(=O)/C1=N/c1cnc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12.CCN1C(=O)/C(=N/c2ncc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3nsnc23)SC1=S.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5C(F)CC(F)CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5CCCCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(N=C4C(=O)C5CCCCC5C4=O)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(/N=C4\C(=O)C(=O)C5C(F)CC(F)CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(N=C4C(=O)C5CCCCC5C4=O)c4nsnc34)cc2)cc1.[C-]#[N+]/C(C#N)=N/c1cnc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12
InChIInChI=1S/C36H29F3N4O2S.C35H28F3N5O2S.2C34H27F2N5O2S.3C34H29N5O2S.C33H25N7O2S.C30H24N6OS3.C28H19N7S/c1-20-3-10-24(11-4-20)43(25-12-5-21(2)6-13-25)26-14-7-22(8-15-26)27-17-18-30(33-31(27)41-46-42-33)40-32-28-16-9-23(36(37,38)39)19-29(28)34(44)35(32)45;1-19-3-10-23(11-4-19)43(24-12-5-20(2)6-13-24)25-14-7-21(8-15-25)29-32-31(41-46-42-32)28(18-39-29)40-30-26-16-9-22(35(36,37)38)17-27(26)33(44)34(30)45;1-18-3-9-22(10-4-18)41(23-11-5-19(2)6-12-23)24-13-7-20(8-14-24)26-17-37-34(31-29(26)39-44-40-31)38-30-25-15-21(35)16-27(36)28(25)32(42)33(30)43;1-18-3-9-22(10-4-18)41(23-11-5-19(2)6-12-23)24-13-7-20(8-14-24)29-32-31(39-44-40-32)27(17-37-29)38-30-25-15-21(35)16-26(36)28(25)33(42)34(30)43;1-20-7-13-23(14-8-20)39(24-15-9-21(2)10-16-24)25-17-11-22(12-18-25)29-31-30(37-42-38-31)28(19-35-29)36-32-33(40)26-5-3-4-6-27(26)34(32)41;1-20-7-13-23(14-8-20)39(24-15-9-21(2)10-16-24)25-17-11-22(12-18-25)28-19-35-34(30-29(28)37-42-38-30)36-31-32(40)26-5-3-4-6-27(26)33(31)41;1-20-7-13-23(14-8-20)39(24-15-9-21(2)10-16-24)25-17-11-22(12-18-25)28-19-35-34(31-29(28)37-42-38-31)36-30-26-5-3-4-6-27(26)32(40)33(30)41;1-19-5-11-23(12-6-19)40(24-13-7-20(2)8-14-24)25-15-9-22(10-16-25)29-31-30(37-43-38-31)27(18-35-29)36-28-21(3)26(17-34)32(41)39(4)33(28)42;1-4-35-29(37)28(39-30(35)38)32-27-26-25(33-40-34-26)24(17-31-27)20-9-15-23(16-10-20)36(21-11-5-18(2)6-12-21)22-13-7-19(3)8-14-22;1-18-4-10-21(11-5-18)35(22-12-6-19(2)7-13-22)23-14-8-20(9-15-23)26-28-27(33-36-34-28)24(17-31-26)32-25(16-29)30-3/h3-8,10-15,17-18,23,28-29H,9,16,19H2,1-2H3;3-8,10-15,18,22,26-27H,9,16-17H2,1-2H3;3-14,17,21,25,27-28H,15-16H2,1-2H3;3-14,17,21,25-26,28H,15-16H2,1-2H3;3*7-19,26-27H,3-6H2,1-2H3;5-16,18H,1-4H3;5-17H,4H2,1-3H3;4-15,17H,1-2H3/b40-32-;40-30-;2*38-30-;;;36-30-;36-28+;32-28-;32-25+
InChIKeyQUBZBZKVMZCQNM-QQWKPIIGSA-N
XLogP78.88
TPSA878.42 Ų
H-Bond Donors
H-Bond Acceptors80
Rotatable Bonds51
Heavy Atoms425
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005858.93
LogP ≤ 578.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1080

Analyze 5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?
The IUPAC name of 5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione (CID 165044613) is 5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione.
What is the SMILES notation for 5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?
The canonical SMILES for 5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione is CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/c1cnc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12.CCN1C(=O)/C(=N/c2ncc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)c3nsnc23)SC1=S.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5C(F)CC(F)CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(/N=C4\C(=O)C(=O)C5CCCCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cnc(N=C4C(=O)C5CCCCC5C4=O)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(/N=C4\C(=O)C(=O)C5C(F)CC(F)CC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(/N=C4\C(=O)C(=O)C5CC(C(F)(F)F)CCC45)c4nsnc34)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ncc(N=C4C(=O)C5CCCCC5C4=O)c4nsnc34)cc2)cc1.[C-]#[N+]/C(C#N)=N/c1cnc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c2nsnc12.
What is the InChIKey of 5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?
The InChIKey is QUBZBZKVMZCQNM-QQWKPIIGSA-N. The full InChI is InChI=1S/C36H29F3N4O2S.C35H28F3N5O2S.2C34H27F2N5O2S.3C34H29N5O2S.C33H25N7O2S.C30H24N6OS3.C28H19N7S/c1-20-3-10-24(11-4-20)43(25-12-5-21(2)6-13-25)26-14-7-22(8-15-26)27-17-18-30(33-31(27)41-46-42-33)40-32-28-16-9-23(36(37,38)39)19-29(28)34(44)35(32)45;1-19-3-10-23(11-4-19)43(24-12-5-20(2)6-13-24)25-14-7-21(8-15-25)29-32-31(41-46-42-32)28(18-39-29)40-30-26-16-9-22(35(36,37)38)17-27(26)33(44)34(30)45;1-18-3-9-22(10-4-18)41(23-11-5-19(2)6-12-23)24-13-7-20(8-14-24)26-17-37-34(31-29(26)39-44-40-31)38-30-25-15-21(35)16-27(36)28(25)32(42)33(30)43;1-18-3-9-22(10-4-18)41(23-11-5-19(2)6-12-23)24-13-7-20(8-14-24)29-32-31(39-44-40-32)27(17-37-29)38-30-25-15-21(35)16-26(36)28(25)33(42)34(30)43;1-20-7-13-23(14-8-20)39(24-15-9-21(2)10-16-24)25-17-11-22(12-18-25)29-31-30(37-42-38-31)28(19-35-29)36-32-33(40)26-5-3-4-6-27(26)34(32)41;1-20-7-13-23(14-8-20)39(24-15-9-21(2)10-16-24)25-17-11-22(12-18-25)28-19-35-34(30-29(28)37-42-38-30)36-31-32(40)26-5-3-4-6-27(26)33(31)41;1-20-7-13-23(14-8-20)39(24-15-9-21(2)10-16-24)25-17-11-22(12-18-25)28-19-35-34(31-29(28)37-42-38-31)36-30-26-5-3-4-6-27(26)32(40)33(30)41;1-19-5-11-23(12-6-19)40(24-13-7-20(2)8-14-24)25-15-9-22(10-16-25)29-31-30(37-43-38-31)27(18-35-29)36-28-21(3)26(17-34)32(41)39(4)33(28)42;1-4-35-29(37)28(39-30(35)38)32-27-26-25(33-40-34-26)24(17-31-27)20-9-15-23(16-10-20)36(21-11-5-18(2)6-12-21)22-13-7-19(3)8-14-22;1-18-4-10-21(11-5-18)35(22-12-6-19(2)7-13-22)23-14-8-20(9-15-23)26-28-27(33-36-34-28)24(17-31-26)32-25(16-29)30-3/h3-8,10-15,17-18,23,28-29H,9,16,19H2,1-2H3;3-8,10-15,18,22,26-27H,9,16-17H2,1-2H3;3-14,17,21,25,27-28H,15-16H2,1-2H3;3-14,17,21,25-26,28H,15-16H2,1-2H3;3*7-19,26-27H,3-6H2,1-2H3;5-16,18H,1-4H3;5-17H,4H2,1-3H3;4-15,17H,1-2H3/b40-32-;40-30-;2*38-30-;;;36-30-;36-28+;32-28-;32-25+.
What are the key properties of 5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione?
5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione has a molecular weight of 5858.93 g/mol, XLogP of 78.88, 51 rotatable bonds, 0 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;5,7-difluoro-3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;1,4-dimethyl-5-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-2,6-dioxopyridine-3-carbonitrile;3-ethyl-5-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-2-sulfanylidene-1,3-thiazolidin-4-one;1-isocyano-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]methanimidoyl cyanide;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-4-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;2-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;2-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione;3-[[7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-4-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,2-dione;3-[[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]imino]-6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydroindene-1,2-dione is sourced from PubChem (CID 165044613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).