[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone

C25H29BrN4O — CID 129225874

IUPAC[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1
InChIInChI=1S/C25H29BrN4O/c26-21-11-9-19(10-12-21)24-22(30-13-5-4-8-23(30)27-24)18-28-14-16-29(17-15-28)25(31)20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,14-18H2
InChIKeyAZWVDGXVGBUTCD-UHFFFAOYSA-N
MW481.44 g/mol
LogP4.99
Rot. Bonds4

About [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone

[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone (PubChem CID 129225874) has the molecular formula C25H29BrN4O and a molecular weight of 481.44 g/mol. Its IUPAC name is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone
PubChem CID129225874
Molecular FormulaC25H29BrN4O
Molecular Weight481.44 g/mol
Exact Mass480.15
IUPAC Name[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1
InChIInChI=1S/C25H29BrN4O/c26-21-11-9-19(10-12-21)24-22(30-13-5-4-8-23(30)27-24)18-28-14-16-29(17-15-28)25(31)20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,14-18H2
InChIKeyAZWVDGXVGBUTCD-UHFFFAOYSA-N
XLogP4.99
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone (CID 129225874) is [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)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]-cyclohexylmethanone?
The InChIKey is AZWVDGXVGBUTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN4O/c26-21-11-9-19(10-12-21)24-22(30-13-5-4-8-23(30)27-24)18-28-14-16-29(17-15-28)25(31)20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,14-18H2.
What are the key properties of [4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone?
[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 481.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 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]-cyclohexylmethanone is sourced from PubChem (CID 129225874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).