About 1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione
1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione (PubChem CID 159746927) has the molecular formula C169H154ClF7N6O33S6
and a molecular weight of 3157.94 g/mol. Its IUPAC name is 1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione.
Frequently Asked Questions
What is the IUPAC name of 1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione?
The IUPAC name of 1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione (CID 159746927) is 1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione.
What is the SMILES notation for 1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione?
The canonical SMILES for 1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione is CCOc1ccc(C(=O)CCC(=O)c2ccc(OCCO)c(OC)c2)nc1-c1csc2c(C)cccc12.COc1cc(C(=O)CCC(=O)c2cc(OC)c(OC)c(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)CCC(=O)c2ccc(OC(F)(F)F)c(-c3csc4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)CCC(=O)c2ccc(OCC3CC3)c(-c3csc4c(F)cccc34)n2)ccc1OCCO.COc1ccc(C(=O)CCC(=O)c2cc(C(F)(F)F)cc(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)CCC(=O)c2cc(Cl)cc(-c3csc4c(C)cccc34)n2)cc1OC.
What is the InChIKey of 1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione?
The InChIKey is NDDQEUCHULQILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FNO6S.C29H29NO7S.C29H29NO6S.C28H24F3NO6S.C27H22F3NO4S.C26H22ClNO4S/c1-36-28-15-19(7-11-26(28)37-14-13-33)24(34)9-10-25(35)23-8-12-27(38-16-18-5-6-18)29(32-23)21-17-39-30-20(21)3-2-4-22(30)31;1-17-6-5-7-19-20(16-38-29(17)19)27-28(36-4)26(35-3)15-21(30-27)23(33)10-9-22(32)18-8-11-24(37-13-12-31)25(14-18)34-2;1-4-35-26-13-9-22(30-28(26)21-17-37-29-18(2)6-5-7-20(21)29)24(33)11-10-23(32)19-8-12-25(36-15-14-31)27(16-19)34-3;1-16-4-3-5-18-19(15-39-27(16)18)26-24(38-28(29,30)31)11-7-20(32-26)22(35)9-8-21(34)17-6-10-23(37-13-12-33)25(14-17)36-2;1-15-5-4-6-18-19(14-36-26(15)18)20-12-17(27(28,29)30)13-21(31-20)23(33)9-8-22(32)16-7-10-24(34-2)25(11-16)35-3;1-15-5-4-6-18-19(14-33-26(15)18)20-12-17(27)13-21(28-20)23(30)9-8-22(29)16-7-10-24(31-2)25(11-16)32-3/h2-4,7-8,11-12,15,17-18,33H,5-6,9-10,13-14,16H2,1H3;5-8,11,14-16,31H,9-10,12-13H2,1-4H3;5-9,12-13,16-17,31H,4,10-11,14-15H2,1-3H3;3-7,10-11,14-15,33H,8-9,12-13H2,1-2H3;4-7,10-14H,8-9H2,1-3H3;4-7,10-14H,8-9H2,1-3H3.
What are the key properties of 1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione?
1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione has a molecular weight of 3157.94 g/mol, XLogP of 37.86, 64 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3,4-dimethoxyphenyl)butane-1,4-dione;1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]butane-1,4-dione is sourced from PubChem (CID 159746927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).