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

C30H23ClF3N3O — CID 83286723

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

3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 83286723) has the molecular formula C30H23ClF3N3O and a molecular weight of 533.98 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 83286723
• Molecular Formula: C30H23ClF3N3O
• Molecular Weight: 533.98 g/mol
• Exact Mass: 533.15
• IUPAC Name: 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
• SMILES: Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CCC(=O)Nc4ccc(C(F)(F)F)cc4)n3c2)c1
• InChI: InChI=1S/C30H23ClF3N3O/c1-19-3-2-4-21(17-19)22-7-15-27-36-29(20-5-10-24(31)11-6-20)26(37(27)18-22)14-16-28(38)35-25-12-8-23(9-13-25)30(32,33)34/h2-13,15,17-18H,14,16H2,1H3,(H,35,38)
• InChIKey: QRSBDNCDFKQYNO-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.98
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 83286723) is 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

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

The canonical SMILES for 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CCC(=O)Nc4ccc(C(F)(F)F)cc4)n3c2)c1.

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

The InChIKey is QRSBDNCDFKQYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClF3N3O/c1-19-3-2-4-21(17-19)22-7-15-27-36-29(20-5-10-24(31)11-6-20)26(37(27)18-22)14-16-28(38)35-25-12-8-23(9-13-25)30(32,33)34/h2-13,15,17-18H,14,16H2,1H3,(H,35,38).

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

3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 533.98 g/mol, XLogP of 8.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 83286723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).