1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate

C148H136F5N5O35S5 — CID 167676613

About 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate

1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate (PubChem CID 167676613) has the molecular formula C148H136F5N5O35S5 and a molecular weight of 2800.04 g/mol. Its IUPAC name is 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate.

Molecular Properties

• Compound Name: 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate
• PubChem CID: 167676613
• Molecular Formula: C148H136F5N5O35S5
• Molecular Weight: 2800.04 g/mol
• Exact Mass: 2797.75
• IUPAC Name: 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate
• SMILES: CCCOc1ccc(C(=O)CCC(=O)c2ccc(OC)c(-c3csc4c(F)cccc34)n2)cc1OC.COc1cc(C(=O)CCC(=O)c2ccc(OC)c(C3=CS(=O)c4c(F)cccc43)n2)ccc1OCCO.COc1cc(C(=O)CCC(=O)c2ccc(OC)c(C3=CS(=O)c4c(F)cccc43)n2)ccc1OCCOC(C)=O.COc1cc(C(=O)CCC(O)c2ccc(OC)c(C3=CS(=O)c4c(F)cccc43)n2)ccc1OCCOC(C)=O.COc1ccc(COCCOc2ccc(C(=O)CCC(=O)c3ccc(OC)c(-c4csc5c(F)cccc45)n3)cc2OC)cc1
• InChI: InChI=1S/C35H32FNO7S.C29H28FNO8S.C29H26FNO8S.C28H26FNO5S.C27H24FNO7S/c1-40-24-10-7-22(8-11-24)20-43-17-18-44-31-15-9-23(19-33(31)42-3)29(38)13-14-30(39)28-12-16-32(41-2)34(37-28)26-21-45-35-25(26)5-4-6-27(35)36;2*1-17(32)38-13-14-39-25-11-7-18(15-27(25)37-3)23(33)9-10-24(34)22-8-12-26(36-2)28(31-22)20-16-40(35)29-19(20)5-4-6-21(29)30;1-4-14-35-24-12-8-17(15-26(24)34-3)22(31)10-11-23(32)21-9-13-25(33-2)27(30-21)19-16-36-28-18(19)6-5-7-20(28)29;1-34-24-11-7-20(29-26(24)18-15-37(33)27-17(18)4-3-5-19(27)28)22(32)9-8-21(31)16-6-10-23(36-13-12-30)25(14-16)35-2/h4-12,15-16,19,21H,13-14,17-18,20H2,1-3H3;4-8,11-12,15-16,24,34H,9-10,13-14H2,1-3H3;4-8,11-12,15-16H,9-10,13-14H2,1-3H3;5-9,12-13,15-16H,4,10-11,14H2,1-3H3;3-7,10-11,14-15,30H,8-9,12-13H2,1-2H3
• InChIKey: UXGQSUCXNGEJOV-UHFFFAOYSA-N
• XLogP: 27.21
• TPSA: 519.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 61
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2800.04
LogP ≤ 5	27.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate?

The IUPAC name of 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate (CID 167676613) is 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate.

What is the SMILES notation for 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate?

The canonical SMILES for 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate is CCCOc1ccc(C(=O)CCC(=O)c2ccc(OC)c(-c3csc4c(F)cccc34)n2)cc1OC.COc1cc(C(=O)CCC(=O)c2ccc(OC)c(C3=CS(=O)c4c(F)cccc43)n2)ccc1OCCO.COc1cc(C(=O)CCC(=O)c2ccc(OC)c(C3=CS(=O)c4c(F)cccc43)n2)ccc1OCCOC(C)=O.COc1cc(C(=O)CCC(O)c2ccc(OC)c(C3=CS(=O)c4c(F)cccc43)n2)ccc1OCCOC(C)=O.COc1ccc(COCCOc2ccc(C(=O)CCC(=O)c3ccc(OC)c(-c4csc5c(F)cccc45)n3)cc2OC)cc1.

What is the InChIKey of 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate?

The InChIKey is UXGQSUCXNGEJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FNO7S.C29H28FNO8S.C29H26FNO8S.C28H26FNO5S.C27H24FNO7S/c1-40-24-10-7-22(8-11-24)20-43-17-18-44-31-15-9-23(19-33(31)42-3)29(38)13-14-30(39)28-12-16-32(41-2)34(37-28)26-21-45-35-25(26)5-4-6-27(35)36;2*1-17(32)38-13-14-39-25-11-7-18(15-27(25)37-3)23(33)9-10-24(34)22-8-12-26(36-2)28(31-22)20-16-40(35)29-19(20)5-4-6-21(29)30;1-4-14-35-24-12-8-17(15-26(24)34-3)22(31)10-11-23(32)21-9-13-25(33-2)27(30-21)19-16-36-28-18(19)6-5-7-20(28)29;1-34-24-11-7-20(29-26(24)18-15-37(33)27-17(18)4-3-5-19(27)28)22(32)9-8-21(31)16-6-10-23(36-13-12-30)25(14-16)35-2/h4-12,15-16,19,21H,13-14,17-18,20H2,1-3H3;4-8,11-12,15-16,24,34H,9-10,13-14H2,1-3H3;4-8,11-12,15-16H,9-10,13-14H2,1-3H3;5-9,12-13,15-16H,4,10-11,14H2,1-3H3;3-7,10-11,14-15,30H,8-9,12-13H2,1-2H3.

What are the key properties of 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate?

1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate has a molecular weight of 2800.04 g/mol, XLogP of 27.21, 61 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-(3-methoxy-4-propoxyphenyl)butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]ethyl acetate;1-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;2-[4-[4-[6-(7-fluoro-1-oxo-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-oxobutanoyl]-2-methoxyphenoxy]ethyl acetate is sourced from PubChem (CID 167676613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).