6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid

C34H23ClF3N3O3 — CID 166171385

About 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid

6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 166171385) has the molecular formula C34H23ClF3N3O3 and a molecular weight of 614.02 g/mol. Its IUPAC name is 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
• PubChem CID: 166171385
• Molecular Formula: C34H23ClF3N3O3
• Molecular Weight: 614.02 g/mol
• Exact Mass: 613.14
• IUPAC Name: 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid
• SMILES: N#Cc1ccccc1CN1CC(C(=O)O)n2c1c(-c1cccc(C(F)(F)F)c1)c(Cc1cccc3ccccc13)c(Cl)c2=O
• InChI: InChI=1S/C34H23ClF3N3O3/c35-30-27(16-21-11-5-10-20-7-3-4-14-26(20)21)29(22-12-6-13-25(15-22)34(36,37)38)31-40(18-24-9-2-1-8-23(24)17-39)19-28(33(43)44)41(31)32(30)42/h1-15,28H,16,18-19H2,(H,43,44)
• InChIKey: VMNGLDVTEWVVLZ-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.02
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid?

The IUPAC name of 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 166171385) is 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid?

The canonical SMILES for 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid is N#Cc1ccccc1CN1CC(C(=O)O)n2c1c(-c1cccc(C(F)(F)F)c1)c(Cc1cccc3ccccc13)c(Cl)c2=O.

What is the InChIKey of 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid?

The InChIKey is VMNGLDVTEWVVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClF3N3O3/c35-30-27(16-21-11-5-10-20-7-3-4-14-26(20)21)29(22-12-6-13-25(15-22)34(36,37)38)31-40(18-24-9-2-1-8-23(24)17-39)19-28(33(43)44)41(31)32(30)42/h1-15,28H,16,18-19H2,(H,43,44).

What are the key properties of 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid?

6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 614.02 g/mol, XLogP of 7.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-[(2-cyanophenyl)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 166171385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).