2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone

C33H28ClF3N4O2 — CID 83278414

IUPAC2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1
InChIInChI=1S/C33H28ClF3N4O2/c34-27-10-12-28(13-11-27)43-22-31(42)40-17-15-39(16-18-40)21-29-32(23-5-2-1-3-6-23)38-30-14-9-25(20-41(29)30)24-7-4-8-26(19-24)33(35,36)37/h1-14,19-20H,15-18,21-22H2
InChIKeyFVTKQBFCWJSSEH-UHFFFAOYSA-N
MW605.06 g/mol
LogP7.06
Rot. Bonds7

About 2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 83278414) has the molecular formula C33H28ClF3N4O2 and a molecular weight of 605.06 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
PubChem CID83278414
Molecular FormulaC33H28ClF3N4O2
Molecular Weight605.06 g/mol
Exact Mass604.19
IUPAC Name2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1
InChIInChI=1S/C33H28ClF3N4O2/c34-27-10-12-28(13-11-27)43-22-31(42)40-17-15-39(16-18-40)21-29-32(23-5-2-1-3-6-23)38-30-14-9-25(20-41(29)30)24-7-4-8-26(19-24)33(35,36)37/h1-14,19-20H,15-18,21-22H2
InChIKeyFVTKQBFCWJSSEH-UHFFFAOYSA-N
XLogP7.06
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.06
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83278524
2-(4-fluorophenyl)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 83278393
N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
CID 83279698
1-[4-[[2-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 83279176
2-methoxy-1-[4-[[2-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 83274417
(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83274694
1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286724
[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 91635942
[4-[[2-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83279111
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
CID 121309759
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone (CID 83278414) is 2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is FVTKQBFCWJSSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClF3N4O2/c34-27-10-12-28(13-11-27)43-22-31(42)40-17-15-39(16-18-40)21-29-32(23-5-2-1-3-6-23)38-30-14-9-25(20-41(29)30)24-7-4-8-26(19-24)33(35,36)37/h1-14,19-20H,15-18,21-22H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 605.06 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 83278414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).