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

C26H24BrFN4O2 — CID 129226008

IUPAC[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1
InChIInChI=1S/C26H24BrFN4O2/c1-34-23-10-9-20(28)16-21(23)26(33)31-14-12-30(13-15-31)17-22-25(18-5-7-19(27)8-6-18)29-24-4-2-3-11-32(22)24/h2-11,16H,12-15,17H2,1H3
InChIKeyDLGLZBHJYNYLTN-UHFFFAOYSA-N
MW523.41 g/mol
LogP4.87
Rot. Bonds5

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

[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 129226008) has the molecular formula C26H24BrFN4O2 and a molecular weight of 523.41 g/mol. Its IUPAC name is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID129226008
Molecular FormulaC26H24BrFN4O2
Molecular Weight523.41 g/mol
Exact Mass522.11
IUPAC Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1
InChIInChI=1S/C26H24BrFN4O2/c1-34-23-10-9-20(28)16-21(23)26(33)31-14-12-30(13-15-31)17-22-25(18-5-7-19(27)8-6-18)29-24-4-2-3-11-32(22)24/h2-11,16H,12-15,17H2,1H3
InChIKeyDLGLZBHJYNYLTN-UHFFFAOYSA-N
XLogP4.87
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-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-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone (CID 129226008) is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1.
What is the InChIKey of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is DLGLZBHJYNYLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrFN4O2/c1-34-23-10-9-20(28)16-21(23)26(33)31-14-12-30(13-15-31)17-22-25(18-5-7-19(27)8-6-18)29-24-4-2-3-11-32(22)24/h2-11,16H,12-15,17H2,1H3.
What are the key properties of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 523.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 129226008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).