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

C26H32N4O — CID 129225895

IUPACcyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nc3ccccn3c2CN2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C26H32N4O/c1-20-10-12-21(13-11-20)25-23(30-14-6-5-9-24(30)27-25)19-28-15-17-29(18-16-28)26(31)22-7-3-2-4-8-22/h5-6,9-14,22H,2-4,7-8,15-19H2,1H3
InChIKeyWOAFYLUDFJUTPM-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.53
Rot. Bonds4

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

cyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 129225895) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is cyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID129225895
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Namecyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nc3ccccn3c2CN2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C26H32N4O/c1-20-10-12-21(13-11-20)25-23(30-14-6-5-9-24(30)27-25)19-28-15-17-29(18-16-28)26(31)22-7-3-2-4-8-22/h5-6,9-14,22H,2-4,7-8,15-19H2,1H3
InChIKeyWOAFYLUDFJUTPM-UHFFFAOYSA-N
XLogP4.53
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (CID 129225895) is cyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is Cc1ccc(-c2nc3ccccn3c2CN2CCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of cyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is WOAFYLUDFJUTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-20-10-12-21(13-11-20)25-23(30-14-6-5-9-24(30)27-25)19-28-15-17-29(18-16-28)26(31)22-7-3-2-4-8-22/h5-6,9-14,22H,2-4,7-8,15-19H2,1H3.
What are the key properties of cyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 416.57 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 129225895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).