cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone

C32H36N4O2 — CID 144747975

IUPACcyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CCN2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C32H36N4O2/c1-38-28-13-7-12-26(22-28)31-29(36-23-27(14-15-30(36)33-31)24-8-3-2-4-9-24)16-17-34-18-20-35(21-19-34)32(37)25-10-5-6-11-25/h2-4,7-9,12-15,22-23,25H,5-6,10-11,16-21H2,1H3
InChIKeyBRVYHYSTXRWHJF-UHFFFAOYSA-N
MW508.67 g/mol
LogP5.55
Rot. Bonds7

About cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone

cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone (PubChem CID 144747975) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone
PubChem CID144747975
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Namecyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CCN2CCN(C(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C32H36N4O2/c1-38-28-13-7-12-26(22-28)31-29(36-23-27(14-15-30(36)33-31)24-8-3-2-4-9-24)16-17-34-18-20-35(21-19-34)32(37)25-10-5-6-11-25/h2-4,7-9,12-15,22-23,25H,5-6,10-11,16-21H2,1H3
InChIKeyBRVYHYSTXRWHJF-UHFFFAOYSA-N
XLogP5.55
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide
CID 121309737
cyclobutyl-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;cyclopentyl-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;(4-methoxyphenyl)-[4-[[2-(4-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;1-[4-[[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 158308546
(3-methoxycyclohexyl)-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83274408
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridine
CID 46114559
(2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83277085
cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83285824
1-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286683
[4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
CID 83290102
4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 159029386
[(1S,3R)-3-methoxycyclohexyl]-[4-[[6-(3-methylphenyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 98444524
[(1R,3S)-3-methoxycyclohexyl]-[4-[[6-(3-methylphenyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 98444521
cyclobutyl-[4-[[2-(4-fluorophenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 91634833

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone (CID 144747975) is cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone is COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CCN2CCN(C(=O)C3CCCC3)CC2)c1.
What is the InChIKey of cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone?
The InChIKey is BRVYHYSTXRWHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-38-28-13-7-12-26(22-28)31-29(36-23-27(14-15-30(36)33-31)24-8-3-2-4-9-24)16-17-34-18-20-35(21-19-34)32(37)25-10-5-6-11-25/h2-4,7-9,12-15,22-23,25H,5-6,10-11,16-21H2,1H3.
What are the key properties of cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone has a molecular weight of 508.67 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 144747975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).