1-(3,4-dimethoxyphenyl)-4-[1-ethyl-6-methoxy-5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-3-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[4-(7-fluoro-1-benzothiophen-3-yl)-1-methylpyrazol-3-yl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)pyridazin-3-yl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-1-propan-2-yl-3-pyridinyl]butane-1,4-dione;methane

C136H132FN7O26S5 — CID 158526410

About 1-(3,4-dimethoxyphenyl)-4-[1-ethyl-6-methoxy-5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-3-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[4-(7-fluoro-1-benzothiophen-3-yl)-1-methylpyrazol-3-yl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)pyridazin-3-yl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-1-propan-2-yl-3-pyridinyl]butane-1,4-dione;methane

1-(3,4-dimethoxyphenyl)-4-[1-ethyl-6-methoxy-5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-3-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[4-(7-fluoro-1-benzothiophen-3-yl)-1-methylpyrazol-3-yl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)pyridazin-3-yl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-1-propan-2-yl-3-pyridinyl]butane-1,4-dione;methane (PubChem CID 158526410) has the molecular formula C136H132FN7O26S5 and a molecular weight of 2459.91 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-[1-ethyl-6-methoxy-5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-3-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[4-(7-fluoro-1-benzothiophen-3-yl)-1-methylpyrazol-3-yl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)pyridazin-3-yl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-1-propan-2-yl-3-pyridinyl]butane-1,4-dione;methane.

Molecular Properties

• Compound Name: 1-(3,4-dimethoxyphenyl)-4-[1-ethyl-6-methoxy-5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-3-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[4-(7-fluoro-1-benzothiophen-3-yl)-1-methylpyrazol-3-yl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)pyridazin-3-yl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-1-propan-2-yl-3-pyridinyl]butane-1,4-dione;methane
• PubChem CID: 158526410
• Molecular Formula: C136H132FN7O26S5
• Molecular Weight: 2459.91 g/mol
• Exact Mass: 2457.78
• IUPAC Name: 1-(3,4-dimethoxyphenyl)-4-[1-ethyl-6-methoxy-5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-3-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[4-(7-fluoro-1-benzothiophen-3-yl)-1-methylpyrazol-3-yl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)pyridazin-3-yl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-1-propan-2-yl-3-pyridinyl]butane-1,4-dione;methane
• SMILES: C.CCn1cc(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)c(=O)c(-c2csc3c(C)cccc23)c1OC.COc1cc(C(=O)CCC(=O)c2cn(C(C)C)cc(-c3csc4c(C)cccc34)c2=O)ccc1OCCO.COc1cc(C(=O)CCC(=O)c2nccc(-c3csc4c(C)cccc34)c2O)ccc1OCCO.COc1ccc(C(=O)CCC(=O)c2ccc(-c3csc4c(C)cccc34)nn2)cc1OC.COc1ccc(C(=O)CCC(=O)c2nn(C)cc2-c2csc3c(F)cccc23)cc1OC
• InChI: InChI=1S/C30H31NO6S.C29H29NO6S.C27H25NO6S.C25H22N2O4S.C24H21FN2O4S.CH4/c1-18(2)31-15-22(24-17-38-30-19(3)6-5-7-21(24)30)29(35)23(16-31)26(34)10-9-25(33)20-8-11-27(37-13-12-32)28(14-20)36-4;1-6-30-15-20(23(32)12-11-22(31)18-10-13-24(34-3)25(14-18)35-4)27(33)26(29(30)36-5)21-16-37-28-17(2)8-7-9-19(21)28;1-16-4-3-5-19-20(15-35-27(16)19)18-10-11-28-25(26(18)32)22(31)8-7-21(30)17-6-9-23(34-13-12-29)24(14-17)33-2;1-15-5-4-6-17-18(14-32-25(15)17)19-8-9-20(27-26-19)22(29)11-10-21(28)16-7-12-23(30-2)24(13-16)31-3;1-27-12-16(17-13-32-24-15(17)5-4-6-18(24)25)23(26-27)20(29)9-8-19(28)14-7-10-21(30-2)22(11-14)31-3;/h5-8,11,14-18,32H,9-10,12-13H2,1-4H3;7-10,13-16H,6,11-12H2,1-5H3;3-6,9-11,14-15,29,32H,7-8,12-13H2,1-2H3;4-9,12-14H,10-11H2,1-3H3;4-7,10-13H,8-9H2,1-3H3;1H4
• InChIKey: HMVLIGXKEIECBF-UHFFFAOYSA-N
• XLogP: 28.45
• TPSA: 433.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 38
• Rotatable Bonds: 47
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2459.91
LogP ≤ 5	28.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

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

The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-[1-ethyl-6-methoxy-5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-3-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[4-(7-fluoro-1-benzothiophen-3-yl)-1-methylpyrazol-3-yl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)pyridazin-3-yl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-1-propan-2-yl-3-pyridinyl]butane-1,4-dione;methane (CID 158526410) is 1-(3,4-dimethoxyphenyl)-4-[1-ethyl-6-methoxy-5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-3-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[4-(7-fluoro-1-benzothiophen-3-yl)-1-methylpyrazol-3-yl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)pyridazin-3-yl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-1-propan-2-yl-3-pyridinyl]butane-1,4-dione;methane.

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

The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-[1-ethyl-6-methoxy-5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-3-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[4-(7-fluoro-1-benzothiophen-3-yl)-1-methylpyrazol-3-yl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)pyridazin-3-yl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-1-propan-2-yl-3-pyridinyl]butane-1,4-dione;methane is C.CCn1cc(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)c(=O)c(-c2csc3c(C)cccc23)c1OC.COc1cc(C(=O)CCC(=O)c2cn(C(C)C)cc(-c3csc4c(C)cccc34)c2=O)ccc1OCCO.COc1cc(C(=O)CCC(=O)c2nccc(-c3csc4c(C)cccc34)c2O)ccc1OCCO.COc1ccc(C(=O)CCC(=O)c2ccc(-c3csc4c(C)cccc34)nn2)cc1OC.COc1ccc(C(=O)CCC(=O)c2nn(C)cc2-c2csc3c(F)cccc23)cc1OC.

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

The InChIKey is HMVLIGXKEIECBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO6S.C29H29NO6S.C27H25NO6S.C25H22N2O4S.C24H21FN2O4S.CH4/c1-18(2)31-15-22(24-17-38-30-19(3)6-5-7-21(24)30)29(35)23(16-31)26(34)10-9-25(33)20-8-11-27(37-13-12-32)28(14-20)36-4;1-6-30-15-20(23(32)12-11-22(31)18-10-13-24(34-3)25(14-18)35-4)27(33)26(29(30)36-5)21-16-37-28-17(2)8-7-9-19(21)28;1-16-4-3-5-19-20(15-35-27(16)19)18-10-11-28-25(26(18)32)22(31)8-7-21(30)17-6-9-23(34-13-12-29)24(14-17)33-2;1-15-5-4-6-17-18(14-32-25(15)17)19-8-9-20(27-26-19)22(29)11-10-21(28)16-7-12-23(30-2)24(13-16)31-3;1-27-12-16(17-13-32-24-15(17)5-4-6-18(24)25)23(26-27)20(29)9-8-19(28)14-7-10-21(30-2)22(11-14)31-3;/h5-8,11,14-18,32H,9-10,12-13H2,1-4H3;7-10,13-16H,6,11-12H2,1-5H3;3-6,9-11,14-15,29,32H,7-8,12-13H2,1-2H3;4-9,12-14H,10-11H2,1-3H3;4-7,10-13H,8-9H2,1-3H3;1H4.

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

1-(3,4-dimethoxyphenyl)-4-[1-ethyl-6-methoxy-5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-3-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[4-(7-fluoro-1-benzothiophen-3-yl)-1-methylpyrazol-3-yl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)pyridazin-3-yl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-1-propan-2-yl-3-pyridinyl]butane-1,4-dione;methane has a molecular weight of 2459.91 g/mol, XLogP of 28.45, 47 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethoxyphenyl)-4-[1-ethyl-6-methoxy-5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-3-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[4-(7-fluoro-1-benzothiophen-3-yl)-1-methylpyrazol-3-yl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)pyridazin-3-yl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione;1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-(7-methyl-1-benzothiophen-3-yl)-4-oxo-1-propan-2-yl-3-pyridinyl]butane-1,4-dione;methane is sourced from PubChem (CID 158526410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).