2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H19F3IN3O — CID 71009847

About 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71009847) has the molecular formula C24H19F3IN3O and a molecular weight of 549.33 g/mol. Its IUPAC name is 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71009847
• Molecular Formula: C24H19F3IN3O
• Molecular Weight: 549.33 g/mol
• Exact Mass: 549.05
• IUPAC Name: 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(I)cn2c1C(=O)NCc1ccc(-c2ccccc2C(F)(F)F)cc1
• InChI: InChI=1S/C24H19F3IN3O/c1-2-20-22(31-14-17(28)11-12-21(31)30-20)23(32)29-13-15-7-9-16(10-8-15)18-5-3-4-6-19(18)24(25,26)27/h3-12,14H,2,13H2,1H3,(H,29,32)
• InChIKey: SZILDBQQDWUVFU-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.33
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71009847) is 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(I)cn2c1C(=O)NCc1ccc(-c2ccccc2C(F)(F)F)cc1.

What is the InChIKey of 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is SZILDBQQDWUVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3IN3O/c1-2-20-22(31-14-17(28)11-12-21(31)30-20)23(32)29-13-15-7-9-16(10-8-15)18-5-3-4-6-19(18)24(25,26)27/h3-12,14H,2,13H2,1H3,(H,29,32).

What are the key properties of 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 549.33 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-6-iodo-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71009847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).