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

C26H24ClFN4O2 — CID 129225971

IUPAC[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone
SMILESCOc1ccc(F)c(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)c1
InChIInChI=1S/C26H24ClFN4O2/c1-34-20-9-10-22(28)21(16-20)26(33)31-14-12-30(13-15-31)17-23-25(18-5-7-19(27)8-6-18)29-24-4-2-3-11-32(23)24/h2-11,16H,12-15,17H2,1H3
InChIKeyVQNBUXMUGJZMSU-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.76
Rot. Bonds5

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

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone (PubChem CID 129225971) has the molecular formula C26H24ClFN4O2 and a molecular weight of 478.96 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone
PubChem CID129225971
Molecular FormulaC26H24ClFN4O2
Molecular Weight478.96 g/mol
Exact Mass478.16
IUPAC Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone
SMILESCOc1ccc(F)c(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)c1
InChIInChI=1S/C26H24ClFN4O2/c1-34-20-9-10-22(28)21(16-20)26(33)31-14-12-30(13-15-31)17-23-25(18-5-7-19(27)8-6-18)29-24-4-2-3-11-32(23)24/h2-11,16H,12-15,17H2,1H3
InChIKeyVQNBUXMUGJZMSU-UHFFFAOYSA-N
XLogP4.76
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone (CID 129225971) is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone is COc1ccc(F)c(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)c1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone?
The InChIKey is VQNBUXMUGJZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O2/c1-34-20-9-10-22(28)21(16-20)26(33)31-14-12-30(13-15-31)17-23-25(18-5-7-19(27)8-6-18)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]-(2-fluoro-5-methoxyphenyl)methanone?
[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluoro-5-methoxyphenyl)methanone has a molecular weight of 478.96 g/mol, XLogP of 4.76, 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]-(2-fluoro-5-methoxyphenyl)methanone is sourced from PubChem (CID 129225971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).