[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone

C26H22ClF3N4O2 — CID 129225876

IUPAC[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1cccc(OC(F)(F)F)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C26H22ClF3N4O2/c27-20-9-7-18(8-10-20)24-22(34-11-2-1-6-23(34)31-24)17-32-12-14-33(15-13-32)25(35)19-4-3-5-21(16-19)36-26(28,29)30/h1-11,16H,12-15,17H2
InChIKeyNPWBREXMFKAGFL-UHFFFAOYSA-N
MW514.94 g/mol
LogP5.51
Rot. Bonds5

About [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 129225876) has the molecular formula C26H22ClF3N4O2 and a molecular weight of 514.94 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID129225876
Molecular FormulaC26H22ClF3N4O2
Molecular Weight514.94 g/mol
Exact Mass514.14
IUPAC Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1cccc(OC(F)(F)F)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C26H22ClF3N4O2/c27-20-9-7-18(8-10-20)24-22(34-11-2-1-6-23(34)31-24)17-32-12-14-33(15-13-32)25(35)19-4-3-5-21(16-19)36-26(28,29)30/h1-11,16H,12-15,17H2
InChIKeyNPWBREXMFKAGFL-UHFFFAOYSA-N
XLogP5.51
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.94
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Telacebec
CID 68234908
Cambritaxestat
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CID 71816518
[4-[[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
CID 129225985
2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-phenylacetamide
CID 24945828
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 168289645
2-[2-(4-chlorophenyl)-8-methoxyimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10573035
[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 45381802
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-6-ylpiperazine-1-carboxamide
CID 46233810
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide
CID 46233971

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone (CID 129225876) is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone is O=C(c1cccc(OC(F)(F)F)c1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is NPWBREXMFKAGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N4O2/c27-20-9-7-18(8-10-20)24-22(34-11-2-1-6-23(34)31-24)17-32-12-14-33(15-13-32)25(35)19-4-3-5-21(16-19)36-26(28,29)30/h1-11,16H,12-15,17H2.
What are the key properties of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone?
[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 514.94 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 129225876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).