[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone

C26H24ClFN4O — CID 129225878

IUPAC[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C26H24ClFN4O/c1-18-5-10-21(28)16-22(18)26(33)31-14-12-30(13-15-31)17-23-25(19-6-8-20(27)9-7-19)29-24-4-2-3-11-32(23)24/h2-11,16H,12-15,17H2,1H3
InChIKeyLLKIJPWILRHZOI-UHFFFAOYSA-N
MW462.96 g/mol
LogP5.06
Rot. Bonds4

About [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone (PubChem CID 129225878) has the molecular formula C26H24ClFN4O and a molecular weight of 462.96 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
PubChem CID129225878
Molecular FormulaC26H24ClFN4O
Molecular Weight462.96 g/mol
Exact Mass462.16
IUPAC Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C26H24ClFN4O/c1-18-5-10-21(28)16-22(18)26(33)31-14-12-30(13-15-31)17-23-25(19-6-8-20(27)9-7-19)29-24-4-2-3-11-32(23)24/h2-11,16H,12-15,17H2,1H3
InChIKeyLLKIJPWILRHZOI-UHFFFAOYSA-N
XLogP5.06
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.96
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone (CID 129225878) is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)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]-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is LLKIJPWILRHZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O/c1-18-5-10-21(28)16-22(18)26(33)31-14-12-30(13-15-31)17-23-25(19-6-8-20(27)9-7-19)29-24-4-2-3-11-32(23)24/h2-11,16H,12-15,17H2,1H3.
What are the key properties of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 462.96 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 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]-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 129225878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).