2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone

C35H33F2NO3S — CID 147143153

About 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone

2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone (PubChem CID 147143153) has the molecular formula C35H33F2NO3S and a molecular weight of 585.72 g/mol. Its IUPAC name is 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone.

Molecular Properties

• Compound Name: 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone
• PubChem CID: 147143153
• Molecular Formula: C35H33F2NO3S
• Molecular Weight: 585.72 g/mol
• Exact Mass: 585.21
• IUPAC Name: 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone
• SMILES: CCCCCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)C5(CCc6ccc(F)cc6)CC5)cc4F)c3s2)o1
• InChI: InChI=1S/C35H33F2NO3S/c1-2-3-4-5-26-11-13-30(40-26)32-22-28-34(42-32)31(15-19-38-28)41-29-12-8-24(20-27(29)37)21-33(39)35(17-18-35)16-14-23-6-9-25(36)10-7-23/h6-13,15,19-20,22H,2-5,14,16-18,21H2,1H3
• InChIKey: BSNFZPDPVPYLFA-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 52.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.72
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone?

The IUPAC name of 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone (CID 147143153) is 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone.

What is the SMILES notation for 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone?

The canonical SMILES for 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone is CCCCCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)C5(CCc6ccc(F)cc6)CC5)cc4F)c3s2)o1.

What is the InChIKey of 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone?

The InChIKey is BSNFZPDPVPYLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F2NO3S/c1-2-3-4-5-26-11-13-30(40-26)32-22-28-34(42-32)31(15-19-38-28)41-29-12-8-24(20-27(29)37)21-33(39)35(17-18-35)16-14-23-6-9-25(36)10-7-23/h6-13,15,19-20,22H,2-5,14,16-18,21H2,1H3.

What are the key properties of 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone?

2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone has a molecular weight of 585.72 g/mol, XLogP of 9.88, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-[1-[2-(4-fluorophenyl)ethyl]cyclopropyl]ethanone is sourced from PubChem (CID 147143153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).