N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide

C26H28FN5O5 — CID 178051594

About N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178051594) has the molecular formula C26H28FN5O5 and a molecular weight of 509.54 g/mol. Its IUPAC name is N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 178051594
• Molecular Formula: C26H28FN5O5
• Molecular Weight: 509.54 g/mol
• Exact Mass: 509.21
• IUPAC Name: N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C3CC(OCCF)C3)n2)cc1NC(=O)c1cnc2cc(COCCO)ccn12
• InChI: InChI=1S/C26H28FN5O5/c1-16-2-3-18(24-30-26(37-31-24)19-11-20(12-19)36-8-5-27)13-21(16)29-25(34)22-14-28-23-10-17(4-6-32(22)23)15-35-9-7-33/h2-4,6,10,13-14,19-20,33H,5,7-9,11-12,15H2,1H3,(H,29,34)
• InChIKey: CBCUQROFMKHKMK-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 124.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.54
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
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-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 178051594) is N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(OCCF)C3)n2)cc1NC(=O)c1cnc2cc(COCCO)ccn12.

What is the InChIKey of N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is CBCUQROFMKHKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O5/c1-16-2-3-18(24-30-26(37-31-24)19-11-20(12-19)36-8-5-27)13-21(16)29-25(34)22-14-28-23-10-17(4-6-32(22)23)15-35-9-7-33/h2-4,6,10,13-14,19-20,33H,5,7-9,11-12,15H2,1H3,(H,29,34).

What are the key properties of N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 509.54 g/mol, XLogP of 3.69, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-hydroxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178051594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).