About bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile
bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile (PubChem CID 158637423) has the molecular formula C184H188Cl6N18O21S7
and a molecular weight of 3424.82 g/mol. Its IUPAC name is bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile.
Frequently Asked Questions
What is the IUPAC name of bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile?
The IUPAC name of bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile (CID 158637423) is bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile.
What is the SMILES notation for bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile?
The canonical SMILES for bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile is CNC1CCC(Oc2c(C)cc(Cl)cc2-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)CC1.Cc1cc(C#N)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCCCC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1CCN(C)CC1.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1C[C@H]2CC[C@@H](C1)C2.Cc1cc(Cl)cc(-c2ccnc3cc(CN4C(=O)CCC4=O)sc23)c1OC1C[C@H]2CC[C@@H](C1)C2.Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)C5CCCCC5C4=O)sc23)c1OC1CCCCC1.
What is the InChIKey of bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile?
The InChIKey is HZYFWPGQGXRNEO-NEJZFTENSA-N. The full InChI is InChI=1S/C28H30ClN3O3S.2C27H27ClN2O3S.C26H28ClN3O3S.C26H25N3O3S.C25H26ClN3O3S.C25H25ClN2O3S/c1-16-11-17(29)12-22(25(16)35-18-7-3-2-4-8-18)24-26-23(30-15-31-24)13-19(36-26)14-32-27(33)20-9-5-6-10-21(20)28(32)34;2*1-15-8-18(28)12-22(26(15)33-19-10-16-2-3-17(9-16)11-19)21-6-7-29-23-13-20(34-27(21)23)14-30-24(31)4-5-25(30)32;1-15-11-16(27)12-21(25(15)33-18-5-3-17(28-2)4-6-18)20-9-10-29-22-13-19(34-26(20)22)14-30-23(31)7-8-24(30)32;1-16-11-17(14-27)12-21(25(16)32-18-5-3-2-4-6-18)20-9-10-28-22-13-19(33-26(20)22)15-29-23(30)7-8-24(29)31;1-15-11-16(26)12-20(24(15)32-17-6-9-28(2)10-7-17)19-5-8-27-21-13-18(33-25(19)21)14-29-22(30)3-4-23(29)31;1-15-11-16(26)12-20(24(15)31-17-5-3-2-4-6-17)19-9-10-27-21-13-18(32-25(19)21)14-28-22(29)7-8-23(28)30/h11-13,15,18,20-21H,2-10,14H2,1H3;2*6-8,12-13,16-17,19H,2-5,9-11,14H2,1H3;9-13,17-18,28H,3-8,14H2,1-2H3;9-13,18H,2-8,15H2,1H3;5,8,11-13,17H,3-4,6-7,9-10,14H2,1-2H3;9-13,17H,2-8,14H2,1H3/t;2*16-,17+,19?;;;;.
What are the key properties of bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile?
bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile has a molecular weight of 3424.82 g/mol, XLogP of 42.09, 36 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[[7-[2-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-5-chloro-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione);1-[[7-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;2-[[4-(5-chloro-2-cyclohexyloxy-3-methylphenyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;1-[[7-[5-chloro-3-methyl-2-[4-(methylamino)cyclohexyl]oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-3-methyl-2-(1-methylpiperidin-4-yl)oxyphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;4-cyclohexyloxy-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-5-methylbenzonitrile is sourced from PubChem (CID 158637423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).