N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide

C₂₃H₂₄N₄O₄S — CID 155537065

About N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide

N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide (PubChem CID 155537065) has the molecular formula C₂₃H₂₄N₄O₄S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
• PubChem CID: 155537065
• Molecular Formula: C₂₃H₂₄N₄O₄S
• Molecular Weight: 452.54 g/mol
• Exact Mass: 452.15
• IUPAC Name: N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
• SMILES: COCCOCCNC(=O)c1csc(-c2cnc3nc(COc4ccccc4)[nH]c3c2)c1
• InChI: InChI=1S/C23H24N4O4S/c1-29-9-10-30-8-7-24-23(28)17-12-20(32-15-17)16-11-19-22(25-13-16)27-21(26-19)14-31-18-5-3-2-4-6-18/h2-6,11-13,15H,7-10,14H2,1H3,(H,24,28)(H,25,26,27)
• InChIKey: FUHUDOLOHUNNKR-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 98.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.54
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?

The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide (CID 155537065) is N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide.

What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?

The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide is COCCOCCNC(=O)c1csc(-c2cnc3nc(COc4ccccc4)[nH]c3c2)c1.

What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?

The InChIKey is FUHUDOLOHUNNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-29-9-10-30-8-7-24-23(28)17-12-20(32-15-17)16-11-19-22(25-13-16)27-21(26-19)14-31-18-5-3-2-4-6-18/h2-6,11-13,15H,7-10,14H2,1H3,(H,24,28)(H,25,26,27).

What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?

N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 3.66, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methoxyethoxy)ethyl]-5-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide is sourced from PubChem (CID 155537065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155537065 — identifiers, structure, computed properties (public domain)

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