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

C26H28FIN5O5P — CID 178051649

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

N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-iodophosphanyloxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178051649) has the molecular formula C26H28FIN5O5P and a molecular weight of 667.42 g/mol. Its IUPAC name is N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-iodophosphanyloxyethoxymethyl)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-iodophosphanyloxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 178051649
• Molecular Formula: C26H28FIN5O5P
• Molecular Weight: 667.42 g/mol
• Exact Mass: 667.09
• IUPAC Name: N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-iodophosphanyloxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C3CC(OCCF)C3)n2)cc1NC(=O)c1cnc2cc(COCCOPI)ccn12
• InChI: InChI=1S/C26H28FIN5O5P/c1-16-2-3-18(24-31-26(38-32-24)19-11-20(12-19)36-7-5-27)13-21(16)30-25(34)22-14-29-23-10-17(4-6-33(22)23)15-35-8-9-37-39-28/h2-4,6,10,13-14,19-20,39H,5,7-9,11-12,15H2,1H3,(H,30,34)
• InChIKey: HIHWJNPOGVDXDF-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 113.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.42
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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-iodophosphanyloxyethoxymethyl)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-iodophosphanyloxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 178051649) is N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-iodophosphanyloxyethoxymethyl)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-iodophosphanyloxyethoxymethyl)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-iodophosphanyloxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(OCCF)C3)n2)cc1NC(=O)c1cnc2cc(COCCOPI)ccn12.

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

The InChIKey is HIHWJNPOGVDXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FIN5O5P/c1-16-2-3-18(24-31-26(38-32-24)19-11-20(12-19)36-7-5-27)13-21(16)30-25(34)22-14-29-23-10-17(4-6-33(22)23)15-35-8-9-37-39-28/h2-4,6,10,13-14,19-20,39H,5,7-9,11-12,15H2,1H3,(H,30,34).

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

N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2-iodophosphanyloxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 667.42 g/mol, XLogP of 5.65, 13 rotatable bonds, 1 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-iodophosphanyloxyethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178051649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).