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

C20H14FNO3S — CID 67297329

IUPAC5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESCOc1cccc(-c2csc3c2C(=O)C(F)(c2ccccc2)C(=O)N3)c1
InChIInChI=1S/C20H14FNO3S/c1-25-14-9-5-6-12(10-14)15-11-26-18-16(15)17(23)20(21,19(24)22-18)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,24)
InChIKeyTXZAUGUUBUWBEB-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.42
Rot. Bonds3

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

5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (PubChem CID 67297329) has the molecular formula C20H14FNO3S and a molecular weight of 367.40 g/mol. Its IUPAC name is 5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
PubChem CID67297329
Molecular FormulaC20H14FNO3S
Molecular Weight367.40 g/mol
Exact Mass367.07
IUPAC Name5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESCOc1cccc(-c2csc3c2C(=O)C(F)(c2ccccc2)C(=O)N3)c1
InChIInChI=1S/C20H14FNO3S/c1-25-14-9-5-6-12(10-14)15-11-26-18-16(15)17(23)20(21,19(24)22-18)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,24)
InChIKeyTXZAUGUUBUWBEB-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

8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 58024740
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-(3-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 961926
Ethyl 4-(4-methoxyphenyl)-2-{[(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate
CID 1008698
2-[2-(2-Methoxyphenyl)acetylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbo xamide
CID 674573
2-[(3-Methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 705171
2-mercapto-6-(3-methoxyphenyl)-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 1327115
4-Ethyl-2-{[3-(4-methoxyphenyl)propanoyl]amino}-5-methyl-3-thiophenecarboxamide
CID 903679
2-(3-(4-Methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 1083543
2-[(2-Fluorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid
CID 1905157
ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2814029
Ethyl 2-[(3-butoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1726406

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The IUPAC name of 5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione (CID 67297329) is 5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione.
What is the SMILES notation for 5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The canonical SMILES for 5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is COc1cccc(-c2csc3c2C(=O)C(F)(c2ccccc2)C(=O)N3)c1.
What is the InChIKey of 5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
The InChIKey is TXZAUGUUBUWBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3S/c1-25-14-9-5-6-12(10-14)15-11-26-18-16(15)17(23)20(21,19(24)22-18)13-7-3-2-4-8-13/h2-11H,1H3,(H,22,24).
What are the key properties of 5-fluoro-3-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione?
5-fluoro-3-(3-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-(3-methoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione is sourced from PubChem (CID 67297329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).