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

C30H28ClF3N4O — CID 83278524

IUPAC[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1
InChIInChI=1S/C30H28ClF3N4O/c31-25-10-7-20(8-11-25)28-26(19-36-13-15-37(16-14-36)29(39)21-3-1-4-21)38-18-23(9-12-27(38)35-28)22-5-2-6-24(17-22)30(32,33)34/h2,5-12,17-18,21H,1,3-4,13-16,19H2
InChIKeyIFJPHZGREVJPLW-UHFFFAOYSA-N
MW553.03 g/mol
LogP6.78
Rot. Bonds5

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

[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone (PubChem CID 83278524) has the molecular formula C30H28ClF3N4O and a molecular weight of 553.03 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
PubChem CID83278524
Molecular FormulaC30H28ClF3N4O
Molecular Weight553.03 g/mol
Exact Mass552.19
IUPAC Name[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1
InChIInChI=1S/C30H28ClF3N4O/c31-25-10-7-20(8-11-25)28-26(19-36-13-15-37(16-14-36)29(39)21-3-1-4-21)38-18-23(9-12-27(38)35-28)22-5-2-6-24(17-22)30(32,33)34/h2,5-12,17-18,21H,1,3-4,13-16,19H2
InChIKeyIFJPHZGREVJPLW-UHFFFAOYSA-N
XLogP6.78
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.03
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
[4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
CID 83290102
N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
CID 83279698
cyclobutyl-[4-[[2-(4-fluorophenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 91634833
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
[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83288509
[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone
CID 98442052
3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropylpropanamide
CID 83289107
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-fluorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83279111
(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83274694
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

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone (CID 83278524) is [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The InChIKey is IFJPHZGREVJPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF3N4O/c31-25-10-7-20(8-11-25)28-26(19-36-13-15-37(16-14-36)29(39)21-3-1-4-21)38-18-23(9-12-27(38)35-28)22-5-2-6-24(17-22)30(32,33)34/h2,5-12,17-18,21H,1,3-4,13-16,19H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone has a molecular weight of 553.03 g/mol, XLogP of 6.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 83278524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).