4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione

C166H157FN6O30S4 — CID 160957715

About 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione

4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione (PubChem CID 160957715) has the molecular formula C166H157FN6O30S4 and a molecular weight of 2863.36 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione.

Molecular Properties

• Compound Name: 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
• PubChem CID: 160957715
• Molecular Formula: C166H157FN6O30S4
• Molecular Weight: 2863.36 g/mol
• Exact Mass: 2860.98
• IUPAC Name: 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
• SMILES: COc1cc(C(=O)CCC(=O)c2ccc(OC)c(C3=CCc4ccc(F)cc43)n2)ccc1OCCO.COc1ccc(C(=O)CC(C)(C)C(=O)c2cccc(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)CCC(=O)c2ccc(O)c(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)CCC(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)CCC(=O)c2ccc(OC)c(C3=CCc4ccccc43)n2)cc1OC.COc1ccc(C(=O)CCC(=O)c2nc(-c3csc4c(C)cccc34)cc(C(C)C)c2OC)cc1OC
• InChI: InChI=1S/C30H31NO5S.C28H26FNO6.C28H27NO4S.C27H25NO5S.C27H25NO5.C26H23NO5S/c1-17(2)21-15-23(22-16-37-30-18(3)8-7-9-20(22)30)31-28(29(21)36-6)25(33)12-11-24(32)19-10-13-26(34-4)27(14-19)35-5;1-34-26-12-8-22(30-28(26)20-7-4-17-3-6-19(29)16-21(17)20)24(33)10-9-23(32)18-5-11-25(36-14-13-31)27(15-18)35-2;1-17-8-6-9-19-20(16-34-26(17)19)21-10-7-11-22(29-21)27(31)28(2,3)15-23(30)18-12-13-24(32-4)25(14-18)33-5;1-16-6-5-7-18-19(15-34-27(16)18)26-24(32-3)13-9-20(28-26)22(30)11-10-21(29)17-8-12-23(31-2)25(14-17)33-4;1-31-24-14-9-18(16-26(24)33-3)22(29)12-13-23(30)21-11-15-25(32-2)27(28-21)20-10-8-17-6-4-5-7-19(17)20;1-15-5-4-6-17-18(14-33-26(15)17)25-22(30)9-8-19(27-25)21(29)11-10-20(28)16-7-12-23(31-2)24(13-16)32-3/h7-10,13-17H,11-12H2,1-6H3;3,5-8,11-12,15-16,31H,4,9-10,13-14H2,1-2H3;6-14,16H,15H2,1-5H3;5-9,12-15H,10-11H2,1-4H3;4-7,9-11,14-16H,8,12-13H2,1-3H3;4-9,12-14,30H,10-11H2,1-3H3
• InChIKey: SWPMPBOYVVFHOJ-UHFFFAOYSA-N
• XLogP: 35.40
• TPSA: 470.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 55
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2863.36
LogP ≤ 5	35.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione?

The IUPAC name of 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione (CID 160957715) is 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione.

What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione?

The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione is COc1cc(C(=O)CCC(=O)c2ccc(OC)c(C3=CCc4ccc(F)cc43)n2)ccc1OCCO.COc1ccc(C(=O)CC(C)(C)C(=O)c2cccc(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)CCC(=O)c2ccc(O)c(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)CCC(=O)c2ccc(OC)c(-c3csc4c(C)cccc34)n2)cc1OC.COc1ccc(C(=O)CCC(=O)c2ccc(OC)c(C3=CCc4ccccc43)n2)cc1OC.COc1ccc(C(=O)CCC(=O)c2nc(-c3csc4c(C)cccc34)cc(C(C)C)c2OC)cc1OC.

What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione?

The InChIKey is SWPMPBOYVVFHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO5S.C28H26FNO6.C28H27NO4S.C27H25NO5S.C27H25NO5.C26H23NO5S/c1-17(2)21-15-23(22-16-37-30-18(3)8-7-9-20(22)30)31-28(29(21)36-6)25(33)12-11-24(32)19-10-13-26(34-4)27(14-19)35-5;1-34-26-12-8-22(30-28(26)20-7-4-17-3-6-19(29)16-21(17)20)24(33)10-9-23(32)18-5-11-25(36-14-13-31)27(15-18)35-2;1-17-8-6-9-19-20(16-34-26(17)19)21-10-7-11-22(29-21)27(31)28(2,3)15-23(30)18-12-13-24(32-4)25(14-18)33-5;1-16-6-5-7-18-19(15-34-27(16)18)26-24(32-3)13-9-20(28-26)22(30)11-10-21(29)17-8-12-23(31-2)25(14-17)33-4;1-31-24-14-9-18(16-26(24)33-3)22(29)12-13-23(30)21-11-15-25(32-2)27(28-21)20-10-8-17-6-4-5-7-19(17)20;1-15-5-4-6-17-18(14-33-26(15)17)25-22(30)9-8-19(27-25)21(29)11-10-20(28)16-7-12-23(31-2)24(13-16)32-3/h7-10,13-17H,11-12H2,1-6H3;3,5-8,11-12,15-16,31H,4,9-10,13-14H2,1-2H3;6-14,16H,15H2,1-5H3;5-9,12-15H,10-11H2,1-4H3;4-7,9-11,14-16H,8,12-13H2,1-3H3;4-9,12-14,30H,10-11H2,1-3H3.

What are the key properties of 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione?

4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione has a molecular weight of 2863.36 g/mol, XLogP of 35.40, 55 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dimethoxyphenyl)-2,2-dimethyl-1-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-hydroxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(3H-inden-1-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[3-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[6-(6-fluoro-3H-inden-1-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione is sourced from PubChem (CID 160957715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).