3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine

C25H32N4 — CID 155082855

IUPAC3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccccn3c2CN2CCN(CC3CCCC3)CC2)cc1
InChIInChI=1S/C25H32N4/c1-20-9-11-22(12-10-20)25-23(29-13-5-4-8-24(29)26-25)19-28-16-14-27(15-17-28)18-21-6-2-3-7-21/h4-5,8-13,21H,2-3,6-7,14-19H2,1H3
InChIKeyXUBXKWUFCTXLSI-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.62
Rot. Bonds5

About 3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine

3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine (PubChem CID 155082855) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is 3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
PubChem CID155082855
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccccn3c2CN2CCN(CC3CCCC3)CC2)cc1
InChIInChI=1S/C25H32N4/c1-20-9-11-22(12-10-20)25-23(29-13-5-4-8-24(29)26-25)19-28-16-14-27(15-17-28)18-21-6-2-3-7-21/h4-5,8-13,21H,2-3,6-7,14-19H2,1H3
InChIKeyXUBXKWUFCTXLSI-UHFFFAOYSA-N
XLogP4.62
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zolpidem
CID 5732
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
Miransertib
CID 53262401
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
L-790070
CID 9806182
Fazadinium Bromide
CID 6321422
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
FK-739 free acid
CID 9801627
VK-19911
CID 9797240

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine (CID 155082855) is 3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3ccccn3c2CN2CCN(CC3CCCC3)CC2)cc1.
What is the InChIKey of 3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is XUBXKWUFCTXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1-20-9-11-22(12-10-20)25-23(29-13-5-4-8-24(29)26-25)19-28-16-14-27(15-17-28)18-21-6-2-3-7-21/h4-5,8-13,21H,2-3,6-7,14-19H2,1H3.
What are the key properties of 3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 388.56 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 155082855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).