N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H21F3N6O4 — CID 71282438

About N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71282438) has the molecular formula C23H21F3N6O4 and a molecular weight of 502.45 g/mol. Its IUPAC name is N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71282438
• Molecular Formula: C23H21F3N6O4
• Molecular Weight: 502.45 g/mol
• Exact Mass: 502.16
• IUPAC Name: N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(CNC(=O)CCOCC(F)(F)F)n2)cc1NC(=O)c1cnc2ccccn12
• InChI: InChI=1S/C23H21F3N6O4/c1-14-5-6-15(10-16(14)29-22(34)17-11-27-18-4-2-3-8-32(17)18)21-30-20(36-31-21)12-28-19(33)7-9-35-13-23(24,25)26/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,28,33)(H,29,34)
• InChIKey: JCFDYRIZIQTVFX-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 123.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.45
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71282438) is N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(CNC(=O)CCOCC(F)(F)F)n2)cc1NC(=O)c1cnc2ccccn12.

What is the InChIKey of N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is JCFDYRIZIQTVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O4/c1-14-5-6-15(10-16(14)29-22(34)17-11-27-18-4-2-3-8-32(17)18)21-30-20(36-31-21)12-28-19(33)7-9-35-13-23(24,25)26/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,28,33)(H,29,34).

What are the key properties of N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 502.45 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[5-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71282438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).