7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide

C20H13F2N3O2S — CID 155515940

IUPAC7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3ccc(F)nc3)cc2n1
InChIInChI=1S/C20H13F2N3O2S/c21-12-3-1-11(2-4-12)15-8-17(20(23)26)25-16-7-14(28-19(15)16)10-27-13-5-6-18(22)24-9-13/h1-9H,10H2,(H2,23,26)
InChIKeyZLJDDVKDWWNBCA-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.31
Rot. Bonds5

About 7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide

7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 155515940) has the molecular formula C20H13F2N3O2S and a molecular weight of 397.41 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
PubChem CID155515940
Molecular FormulaC20H13F2N3O2S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC Name7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3ccc(F)nc3)cc2n1
InChIInChI=1S/C20H13F2N3O2S/c21-12-3-1-11(2-4-12)15-8-17(20(23)26)25-16-7-14(28-19(15)16)10-27-13-5-6-18(22)24-9-13/h1-9H,10H2,(H2,23,26)
InChIKeyZLJDDVKDWWNBCA-UHFFFAOYSA-N
XLogP4.31
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide (CID 155515940) is 7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3ccc(F)nc3)cc2n1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
The InChIKey is ZLJDDVKDWWNBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2S/c21-12-3-1-11(2-4-12)15-8-17(20(23)26)25-16-7-14(28-19(15)16)10-27-13-5-6-18(22)24-9-13/h1-9H,10H2,(H2,23,26).
What are the key properties of 7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide?
7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[(6-fluoro-3-pyridinyl)oxymethyl]thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 155515940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).