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

C₂₁H₁₆FN₃O₃S — CID 155514808

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

2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 155514808) has the molecular formula C₂₁H₁₆FN₃O₃S and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
• PubChem CID: 155514808
• Molecular Formula: C₂₁H₁₆FN₃O₃S
• Molecular Weight: 409.44 g/mol
• Exact Mass: 409.09
• IUPAC Name: 2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
• SMILES: COc1ccc(-c2cc(C(N)=O)nc3cc(COc4ccc(F)nc4)sc23)cc1
• InChI: InChI=1S/C21H16FN3O3S/c1-27-13-4-2-12(3-5-13)16-9-18(21(23)26)25-17-8-15(29-20(16)17)11-28-14-6-7-19(22)24-10-14/h2-10H,11H2,1H3,(H2,23,26)
• InChIKey: JVMVZXODGWDRLX-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 87.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.44
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?

The IUPAC name of 2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide (CID 155514808) is 2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide.

What is the SMILES notation for 2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?

The canonical SMILES for 2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide is COc1ccc(-c2cc(C(N)=O)nc3cc(COc4ccc(F)nc4)sc23)cc1.

What is the InChIKey of 2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?

The InChIKey is JVMVZXODGWDRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-27-13-4-2-12(3-5-13)16-9-18(21(23)26)25-17-8-15(29-20(16)17)11-28-14-6-7-19(22)24-10-14/h2-10H,11H2,1H3,(H2,23,26).

What are the key properties of 2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?

2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-fluoro-3-pyridinyl)oxymethyl]-7-(4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 155514808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155514808 — identifiers, structure, computed properties (public domain)

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