3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one

C28H26ClF3N4O — CID 4568629

IUPAC3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1ccccc1N1CCN(C(=O)CC(c2cccc(C(F)(F)F)c2)c2cnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C28H26ClF3N4O/c1-19-5-2-3-8-24(19)34-11-13-35(14-12-34)27(37)16-23(20-6-4-7-21(15-20)28(30,31)32)25-17-33-26-10-9-22(29)18-36(25)26/h2-10,15,17-18,23H,11-14,16H2,1H3
InChIKeyIKQABLLFLXVJGP-UHFFFAOYSA-N
MW526.99 g/mol
LogP6.19
Rot. Bonds5

About 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 4568629) has the molecular formula C28H26ClF3N4O and a molecular weight of 526.99 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
PubChem CID4568629
Molecular FormulaC28H26ClF3N4O
Molecular Weight526.99 g/mol
Exact Mass526.17
IUPAC Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1ccccc1N1CCN(C(=O)CC(c2cccc(C(F)(F)F)c2)c2cnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C28H26ClF3N4O/c1-19-5-2-3-8-24(19)34-11-13-35(14-12-34)27(37)16-23(20-6-4-7-21(15-20)28(30,31)32)25-17-33-26-10-9-22(29)18-36(25)26/h2-10,15,17-18,23H,11-14,16H2,1H3
InChIKeyIKQABLLFLXVJGP-UHFFFAOYSA-N
XLogP6.19
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.99
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 42783669
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4571894
1-(4-benzhydrylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 5081170
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 4206782
1-[4-(2-methylphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 112766387
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 42783657
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one
CID 42783692
1-(4-benzylpiperazin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 4280472
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 5043701
(3S)-3-(3-fluorophenyl)-3-(1-methylindol-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 93122600
3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 4565425
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one
CID 42784245

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one (CID 4568629) is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one is Cc1ccccc1N1CCN(C(=O)CC(c2cccc(C(F)(F)F)c2)c2cnc3ccc(Cl)cn23)CC1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is IKQABLLFLXVJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF3N4O/c1-19-5-2-3-8-24(19)34-11-13-35(14-12-34)27(37)16-23(20-6-4-7-21(15-20)28(30,31)32)25-17-33-26-10-9-22(29)18-36(25)26/h2-10,15,17-18,23H,11-14,16H2,1H3.
What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one?
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 526.99 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 4568629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).