N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide

C36H42FN3O6S — CID 58207669

About N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide

N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide (PubChem CID 58207669) has the molecular formula C36H42FN3O6S and a molecular weight of 663.81 g/mol. Its IUPAC name is N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide
• PubChem CID: 58207669
• Molecular Formula: C36H42FN3O6S
• Molecular Weight: 663.81 g/mol
• Exact Mass: 663.28
• IUPAC Name: N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide
• SMILES: CCCOCCOCCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(C)=O
• InChI: InChI=1S/C36H42FN3O6S/c1-3-13-43-15-17-45-18-16-44-14-12-40(25(2)41)24-28-6-8-31(39-23-28)35-22-32-36(47-35)34(10-11-38-32)46-33-9-7-27(21-30(33)37)20-29(42)19-26-4-5-26/h6-11,21-23,26H,3-5,12-20,24H2,1-2H3
• InChIKey: VQQSPOYZLBZRFP-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 100.08 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.81
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide?

The IUPAC name of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide (CID 58207669) is N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide.

What is the SMILES notation for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide?

The canonical SMILES for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide is CCCOCCOCCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1)C(C)=O.

What is the InChIKey of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide?

The InChIKey is VQQSPOYZLBZRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42FN3O6S/c1-3-13-43-15-17-45-18-16-44-14-12-40(25(2)41)24-28-6-8-31(39-23-28)35-22-32-36(47-35)34(10-11-38-32)46-33-9-7-27(21-30(33)37)20-29(42)19-26-4-5-26/h6-11,21-23,26H,3-5,12-20,24H2,1-2H3.

What are the key properties of N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide?

N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide has a molecular weight of 663.81 g/mol, XLogP of 7.01, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 58207669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).