[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone

C30H31ClN4O — CID 83288509

IUPAC[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
SMILESCc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CN2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C30H31ClN4O/c1-21-9-11-22(12-10-21)29-27(20-33-15-17-34(18-16-33)30(36)23-5-4-6-23)35-19-24(13-14-28(35)32-29)25-7-2-3-8-26(25)31/h2-3,7-14,19,23H,4-6,15-18,20H2,1H3
InChIKeyDGSUAKZJWYEVOM-UHFFFAOYSA-N
MW499.06 g/mol
LogP6.07
Rot. Bonds5

About [4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone

[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone (PubChem CID 83288509) has the molecular formula C30H31ClN4O and a molecular weight of 499.06 g/mol. Its IUPAC name is [4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
PubChem CID83288509
Molecular FormulaC30H31ClN4O
Molecular Weight499.06 g/mol
Exact Mass498.22
IUPAC Name[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
SMILESCc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CN2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C30H31ClN4O/c1-21-9-11-22(12-10-21)29-27(20-33-15-17-34(18-16-33)30(36)23-5-4-6-23)35-19-24(13-14-28(35)32-29)25-7-2-3-8-26(25)31/h2-3,7-14,19,23H,4-6,15-18,20H2,1H3
InChIKeyDGSUAKZJWYEVOM-UHFFFAOYSA-N
XLogP6.07
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.06
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83285824
2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide
CID 121309737
[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83278524
[4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
CID 83290102
(3-methoxycyclohexyl)-[4-[[2-(4-methylphenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83277581
4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 129225981
cyclobutyl-[4-[[2-(4-fluorophenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 91634833
[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
1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281402
ethyl (3R)-1-[3-[6-(2-chlorophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanoyl]piperidine-3-carboxylate
CID 97037482
[(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 [4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone (CID 83288509) is [4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone is Cc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CN2CCN(C(=O)C3CCC3)CC2)cc1.
What is the InChIKey of [4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
The InChIKey is DGSUAKZJWYEVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O/c1-21-9-11-22(12-10-21)29-27(20-33-15-17-34(18-16-33)30(36)23-5-4-6-23)35-19-24(13-14-28(35)32-29)25-7-2-3-8-26(25)31/h2-3,7-14,19,23H,4-6,15-18,20H2,1H3.
What are the key properties of [4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone?
[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone has a molecular weight of 499.06 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 83288509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).