5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione

C20H14FNO3S — CID 67297663

IUPAC5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESCOc1cccc(C2(F)C(=O)Nc3scc(-c4ccccc4)c3C2=O)c1
InChIInChI=1S/C20H14FNO3S/c1-25-14-9-5-8-13(10-14)20(21)17(23)16-15(12-6-3-2-4-7-12)11-26-18(16)22-19(20)24/h2-11H,1H3,(H,22,24)
InChIKeyGWEACPWPPCGSTQ-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.42
Rot. Bonds3

About 5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione

5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (PubChem CID 67297663) has the molecular formula C20H14FNO3S and a molecular weight of 367.40 g/mol. Its IUPAC name is 5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
PubChem CID67297663
Molecular FormulaC20H14FNO3S
Molecular Weight367.40 g/mol
Exact Mass367.07
IUPAC Name5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESCOc1cccc(C2(F)C(=O)Nc3scc(-c4ccccc4)c3C2=O)c1
InChIInChI=1S/C20H14FNO3S/c1-25-14-9-5-8-13(10-14)20(21)17(23)16-15(12-6-3-2-4-7-12)11-26-18(16)22-19(20)24/h2-11H,1H3,(H,22,24)
InChIKeyGWEACPWPPCGSTQ-UHFFFAOYSA-N
XLogP4.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-(4-hydroxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297381
5-fluoro-5-phenyl-3-[4-(trifluoromethyl)phenyl]-7H-thieno[2,3-b]pyridine-4,6-dione
CID 71269748
5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297377
5-fluoro-3-(4-fluoro-2-hydroxy-3-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297373
(2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 7288086
2-chloro-3-(2-fluoro-4-methoxyphenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53302710
7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135856872
2-chloro-3-(3-methoxyphenyl)-5-methyl-5-(4-methylphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53303070
2-chloro-5-fluoro-3-(4-fluoro-2-hydroxyphenyl)-5-(2-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione;2-chloro-5-fluoro-3-(2-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297570
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
2-chloro-3-(3-fluorophenyl)-5-(4-methoxyphenyl)-5-methyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53304006
2-chloro-3-(4-ethyl-2-hydroxyphenyl)-5-fluoro-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297563

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The IUPAC name of 5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (CID 67297663) is 5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.
What is the SMILES notation for 5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The canonical SMILES for 5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is COc1cccc(C2(F)C(=O)Nc3scc(-c4ccccc4)c3C2=O)c1.
What is the InChIKey of 5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The InChIKey is GWEACPWPPCGSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3S/c1-25-14-9-5-8-13(10-14)20(21)17(23)16-15(12-6-3-2-4-7-12)11-26-18(16)22-19(20)24/h2-11H,1H3,(H,22,24).
What are the key properties of 5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione has a molecular weight of 367.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is sourced from PubChem (CID 67297663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).