3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide

C31H26F3N3O2 — CID 83288253

About 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide

3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide (PubChem CID 83288253) has the molecular formula C31H26F3N3O2 and a molecular weight of 529.56 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide
• PubChem CID: 83288253
• Molecular Formula: C31H26F3N3O2
• Molecular Weight: 529.56 g/mol
• Exact Mass: 529.20
• IUPAC Name: 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide
• SMILES: COc1cccc(-c2nc3ccc(-c4cccc(C(F)(F)F)c4)cn3c2CCC(=O)Nc2ccc(C)cc2)c1
• InChI: InChI=1S/C31H26F3N3O2/c1-20-9-12-25(13-10-20)35-29(38)16-14-27-30(22-6-4-8-26(18-22)39-2)36-28-15-11-23(19-37(27)28)21-5-3-7-24(17-21)31(32,33)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,35,38)
• InChIKey: MAWTUJKUCFGXQN-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.56
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide?

The IUPAC name of 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide (CID 83288253) is 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide.

What is the SMILES notation for 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide?

The canonical SMILES for 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide is COc1cccc(-c2nc3ccc(-c4cccc(C(F)(F)F)c4)cn3c2CCC(=O)Nc2ccc(C)cc2)c1.

What is the InChIKey of 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide?

The InChIKey is MAWTUJKUCFGXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F3N3O2/c1-20-9-12-25(13-10-20)35-29(38)16-14-27-30(22-6-4-8-26(18-22)39-2)36-28-15-11-23(19-37(27)28)21-5-3-7-24(17-21)31(32,33)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,35,38).

What are the key properties of 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide?

3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide has a molecular weight of 529.56 g/mol, XLogP of 7.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 83288253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).