5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione

C17H10FN3O2S — CID 67297377

IUPAC5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESO=C1Nc2scc(-c3cnccn3)c2C(=O)C1(F)c1ccccc1
InChIInChI=1S/C17H10FN3O2S/c18-17(10-4-2-1-3-5-10)14(22)13-11(12-8-19-6-7-20-12)9-24-15(13)21-16(17)23/h1-9H,(H,21,23)
InChIKeyZJBQQCPNOLNWTP-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.20
Rot. Bonds2

About 5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione

5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione (PubChem CID 67297377) has the molecular formula C17H10FN3O2S and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione.

Molecular Properties

Compound Name5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione
PubChem CID67297377
Molecular FormulaC17H10FN3O2S
Molecular Weight339.35 g/mol
Exact Mass339.05
IUPAC Name5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESO=C1Nc2scc(-c3cnccn3)c2C(=O)C1(F)c1ccccc1
InChIInChI=1S/C17H10FN3O2S/c18-17(10-4-2-1-3-5-10)14(22)13-11(12-8-19-6-7-20-12)9-24-15(13)21-16(17)23/h1-9H,(H,21,23)
InChIKeyZJBQQCPNOLNWTP-UHFFFAOYSA-N
XLogP3.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione?
The IUPAC name of 5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione (CID 67297377) is 5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione.
What is the SMILES notation for 5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione?
The canonical SMILES for 5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione is O=C1Nc2scc(-c3cnccn3)c2C(=O)C1(F)c1ccccc1.
What is the InChIKey of 5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione?
The InChIKey is ZJBQQCPNOLNWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2S/c18-17(10-4-2-1-3-5-10)14(22)13-11(12-8-19-6-7-20-12)9-24-15(13)21-16(17)23/h1-9H,(H,21,23).
What are the key properties of 5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione?
5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione has a molecular weight of 339.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-phenyl-3-pyrazin-2-yl-7H-thieno[2,3-b]pyridine-4,6-dione is sourced from PubChem (CID 67297377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).