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

C22H18F3N5O3 — CID 71280426

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

N-[5-[5-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280426) has the molecular formula C22H18F3N5O3 and a molecular weight of 457.41 g/mol. Its IUPAC name is N-[5-[5-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71280426
• Molecular Formula: C22H18F3N5O3
• Molecular Weight: 457.41 g/mol
• Exact Mass: 457.14
• IUPAC Name: N-[5-[5-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C3CC(O)(C(F)(F)F)C3)n2)cc1NC(=O)c1cnc2ccccn12
• InChI: InChI=1S/C22H18F3N5O3/c1-12-5-6-13(18-28-20(33-29-18)14-9-21(32,10-14)22(23,24)25)8-15(12)27-19(31)16-11-26-17-4-2-3-7-30(16)17/h2-8,11,14,32H,9-10H2,1H3,(H,27,31)
• InChIKey: GSZAAFHRPAZVGN-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 105.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.41
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[5-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71280426) is N-[5-[5-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[5-[5-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(O)(C(F)(F)F)C3)n2)cc1NC(=O)c1cnc2ccccn12.

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

The InChIKey is GSZAAFHRPAZVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O3/c1-12-5-6-13(18-28-20(33-29-18)14-9-21(32,10-14)22(23,24)25)8-15(12)27-19(31)16-11-26-17-4-2-3-7-30(16)17/h2-8,11,14,32H,9-10H2,1H3,(H,27,31).

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

N-[5-[5-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 457.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).