cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

C32H36N4O2 — CID 83285824

IUPACcyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2nc3ccc(-c4cc(C)ccc4C)cn3c2CN2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C32H36N4O2/c1-22-7-8-23(2)28(19-22)26-11-14-30-33-31(24-9-12-27(38-3)13-10-24)29(36(30)20-26)21-34-15-17-35(18-16-34)32(37)25-5-4-6-25/h7-14,19-20,25H,4-6,15-18,21H2,1-3H3
InChIKeyAKVNZNFCBMKZOB-UHFFFAOYSA-N
MW508.67 g/mol
LogP5.74
Rot. Bonds6

About cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone

cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 83285824) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID83285824
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Namecyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2nc3ccc(-c4cc(C)ccc4C)cn3c2CN2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C32H36N4O2/c1-22-7-8-23(2)28(19-22)26-11-14-30-33-31(24-9-12-27(38-3)13-10-24)29(36(30)20-26)21-34-15-17-35(18-16-34)32(37)25-5-4-6-25/h7-14,19-20,25H,4-6,15-18,21H2,1-3H3
InChIKeyAKVNZNFCBMKZOB-UHFFFAOYSA-N
XLogP5.74
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83288509
1-[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281400
2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide
CID 121309737
1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281402
[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 83285810
[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[(1R,3R)-3-methoxycyclohexyl]methanone
CID 98442052
[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83276161
(3-methoxycyclohexyl)-[4-[[2-(4-methylphenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83277581
[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 83285862
[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83278524
[(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

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone (CID 83285824) is cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is COc1ccc(-c2nc3ccc(-c4cc(C)ccc4C)cn3c2CN2CCN(C(=O)C3CCC3)CC2)cc1.
What is the InChIKey of cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is AKVNZNFCBMKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-22-7-8-23(2)28(19-22)26-11-14-30-33-31(24-9-12-27(38-3)13-10-24)29(36(30)20-26)21-34-15-17-35(18-16-34)32(37)25-5-4-6-25/h7-14,19-20,25H,4-6,15-18,21H2,1-3H3.
What are the key properties of cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 508.67 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 83285824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).