N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

C26H22Cl2F3N3O — CID 4160925

About N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 4160925) has the molecular formula C26H22Cl2F3N3O and a molecular weight of 520.38 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 4160925
• Molecular Formula: C26H22Cl2F3N3O
• Molecular Weight: 520.38 g/mol
• Exact Mass: 519.11
• IUPAC Name: N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
• SMILES: Cc1ccn2c(C(CC(=O)NCCc3ccc(Cl)cc3Cl)c3cccc(C(F)(F)F)c3)cnc2c1
• InChI: InChI=1S/C26H22Cl2F3N3O/c1-16-8-10-34-23(15-33-24(34)11-16)21(18-3-2-4-19(12-18)26(29,30)31)14-25(35)32-9-7-17-5-6-20(27)13-22(17)28/h2-6,8,10-13,15,21H,7,9,14H2,1H3,(H,32,35)
• InChIKey: PNLZDXFEQZNHDL-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.38
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (CID 4160925) is N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is Cc1ccn2c(C(CC(=O)NCCc3ccc(Cl)cc3Cl)c3cccc(C(F)(F)F)c3)cnc2c1.

What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

The InChIKey is PNLZDXFEQZNHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2F3N3O/c1-16-8-10-34-23(15-33-24(34)11-16)21(18-3-2-4-19(12-18)26(29,30)31)14-25(35)32-9-7-17-5-6-20(27)13-22(17)28/h2-6,8,10-13,15,21H,7,9,14H2,1H3,(H,32,35).

What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?

N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 520.38 g/mol, XLogP of 6.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 4160925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).