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

C28H32FN5O5 — CID 178051276

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

N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 178051276) has the molecular formula C28H32FN5O5 and a molecular weight of 537.59 g/mol. Its IUPAC name is N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]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-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 178051276
• Molecular Formula: C28H32FN5O5
• Molecular Weight: 537.59 g/mol
• Exact Mass: 537.24
• IUPAC Name: N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C3CC(OCCF)C3)n2)cc1NC(=O)c1cnc2cc(COCC(C)(C)O)ccn12
• InChI: InChI=1S/C28H32FN5O5/c1-17-4-5-19(25-32-27(39-33-25)20-11-21(12-20)38-9-7-29)13-22(17)31-26(35)23-14-30-24-10-18(6-8-34(23)24)15-37-16-28(2,3)36/h4-6,8,10,13-14,20-21,36H,7,9,11-12,15-16H2,1-3H3,(H,31,35)
• InChIKey: HODNWUSBGIAJLO-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 124.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.59
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-hydroxy-2-methylpropoxy)methyl]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-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 178051276) is N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]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-hydroxy-2-methylpropoxy)methyl]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-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(OCCF)C3)n2)cc1NC(=O)c1cnc2cc(COCC(C)(C)O)ccn12.

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

The InChIKey is HODNWUSBGIAJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O5/c1-17-4-5-19(25-32-27(39-33-25)20-11-21(12-20)38-9-7-29)13-22(17)31-26(35)23-14-30-24-10-18(6-8-34(23)24)15-37-16-28(2,3)36/h4-6,8,10,13-14,20-21,36H,7,9,11-12,15-16H2,1-3H3,(H,31,35).

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

N-[5-[5-[3-(2-fluoroethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[(2-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 537.59 g/mol, XLogP of 4.46, 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-hydroxy-2-methylpropoxy)methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 178051276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).