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

C20H14FNO3S — CID 53302397

IUPAC5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESCOc1ccc(-c2csc3c2C(=O)C(F)(c2ccccc2)C(=O)N3)cc1
InChIInChI=1S/C20H14FNO3S/c1-25-14-9-7-12(8-10-14)15-11-26-18-16(15)17(23)20(21,19(24)22-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,24)
InChIKeyINUPYEPNESYYHC-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.42
Rot. Bonds3

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

5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (PubChem CID 53302397) has the molecular formula C20H14FNO3S and a molecular weight of 367.40 g/mol. Its IUPAC name is 5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
PubChem CID53302397
Molecular FormulaC20H14FNO3S
Molecular Weight367.40 g/mol
Exact Mass367.07
IUPAC Name5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESCOc1ccc(-c2csc3c2C(=O)C(F)(c2ccccc2)C(=O)N3)cc1
InChIInChI=1S/C20H14FNO3S/c1-25-14-9-7-12(8-10-14)15-11-26-18-16(15)17(23)20(21,19(24)22-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,24)
InChIKeyINUPYEPNESYYHC-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The IUPAC name of 5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (CID 53302397) is 5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.
What is the SMILES notation for 5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The canonical SMILES for 5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is COc1ccc(-c2csc3c2C(=O)C(F)(c2ccccc2)C(=O)N3)cc1.
What is the InChIKey of 5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The InChIKey is INUPYEPNESYYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3S/c1-25-14-9-7-12(8-10-14)15-11-26-18-16(15)17(23)20(21,19(24)22-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,22,24).
What are the key properties of 5-fluoro-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
5-fluoro-3-(4-methoxyphenyl)-5-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-3-(4-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is sourced from PubChem (CID 53302397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).