5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid

C23H18FNO6S — CID 164952009

IUPAC5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
SMILESCOc1ccccc1C(C)Oc1ccc(F)c(N2C(=O)Cc3csc(C(=O)O)c3C2=O)c1
InChIInChI=1S/C23H18FNO6S/c1-12(15-5-3-4-6-18(15)30-2)31-14-7-8-16(24)17(10-14)25-19(26)9-13-11-32-21(23(28)29)20(13)22(25)27/h3-8,10-12H,9H2,1-2H3,(H,28,29)
InChIKeyAQTQLDPENDONHT-UHFFFAOYSA-N
MW455.46 g/mol
LogP4.46
Rot. Bonds6

About 5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid

5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid (PubChem CID 164952009) has the molecular formula C23H18FNO6S and a molecular weight of 455.46 g/mol. Its IUPAC name is 5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
PubChem CID164952009
Molecular FormulaC23H18FNO6S
Molecular Weight455.46 g/mol
Exact Mass455.08
IUPAC Name5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
SMILESCOc1ccccc1C(C)Oc1ccc(F)c(N2C(=O)Cc3csc(C(=O)O)c3C2=O)c1
InChIInChI=1S/C23H18FNO6S/c1-12(15-5-3-4-6-18(15)30-2)31-14-7-8-16(24)17(10-14)25-19(26)9-13-11-32-21(23(28)29)20(13)22(25)27/h3-8,10-12H,9H2,1-2H3,(H,28,29)
InChIKeyAQTQLDPENDONHT-UHFFFAOYSA-N
XLogP4.46
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-chloro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 159467669
5-[2-chloro-5-[1-[2-(3-hydroxypropoxy)phenyl]ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 159186169
5-[5-[(2,5-dimethoxyphenyl)methoxy]-2-fluorophenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 160735467
5-[2-fluoro-5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 165014370
5-[5-[2-(2,3-difluoro-6-methoxyphenyl)propan-2-ylsulfanyl]-2-fluorophenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 165029627
methyl 5-[2-chloro-5-[2,2,2-trifluoro-1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylate
CID 165107837
5-[5-[[2,3-difluoro-6-(2-hydroxyethoxy)phenyl]methoxy]-2-fluorophenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 159713209
5-[2-chloro-5-[1-[3-(trifluoromethyl)phenyl]ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 161059168
5-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-ethyl-2-fluorophenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 162076173
5-[5-[(2,6-dichlorophenyl)methylsulfanyl]-2-fluorophenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 165028289
5-[2-chloro-5-[(2,5-dichlorophenyl)methoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 159970384
5-[2-chloro-5-[(2-fluorophenyl)-methylsulfamoyl]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid
CID 165064769

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid (CID 164952009) is 5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid is COc1ccccc1C(C)Oc1ccc(F)c(N2C(=O)Cc3csc(C(=O)O)c3C2=O)c1.
What is the InChIKey of 5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid?
The InChIKey is AQTQLDPENDONHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO6S/c1-12(15-5-3-4-6-18(15)30-2)31-14-7-8-16(24)17(10-14)25-19(26)9-13-11-32-21(23(28)29)20(13)22(25)27/h3-8,10-12H,9H2,1-2H3,(H,28,29).
What are the key properties of 5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid?
5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid has a molecular weight of 455.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-5-[1-(2-methoxyphenyl)ethoxy]phenyl]-4,6-dioxo-7H-thieno[3,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 164952009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).