2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide

C31H33N5O3 — CID 121309737

IUPAC2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCOc1cccc(-c2nc3ccc(-c4ccccc4C(N)=O)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C31H33N5O3/c1-39-24-9-5-8-22(18-24)29-27(20-34-14-16-35(17-15-34)31(38)21-6-4-7-21)36-19-23(12-13-28(36)33-29)25-10-2-3-11-26(25)30(32)37/h2-3,5,8-13,18-19,21H,4,6-7,14-17,20H2,1H3,(H2,32,37)
InChIKeyBHRKHDFKWNFQAJ-UHFFFAOYSA-N
MW523.64 g/mol
LogP4.22
Rot. Bonds7

About 2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide

2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide (PubChem CID 121309737) has the molecular formula C31H33N5O3 and a molecular weight of 523.64 g/mol. Its IUPAC name is 2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide
PubChem CID121309737
Molecular FormulaC31H33N5O3
Molecular Weight523.64 g/mol
Exact Mass523.26
IUPAC Name2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCOc1cccc(-c2nc3ccc(-c4ccccc4C(N)=O)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1
InChIInChI=1S/C31H33N5O3/c1-39-24-9-5-8-22(18-24)29-27(20-34-14-16-35(17-15-34)31(38)21-6-4-7-21)36-19-23(12-13-28(36)33-29)25-10-2-3-11-26(25)30(32)37/h2-3,5,8-13,18-19,21H,4,6-7,14-17,20H2,1H3,(H2,32,37)
InChIKeyBHRKHDFKWNFQAJ-UHFFFAOYSA-N
XLogP4.22
TPSA93.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone
CID 144747975
cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83285824
[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83288509
(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-[[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
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
[4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 144748049
(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83274694
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
cyclobutyl-[4-[[2-(4-fluorophenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 91634833
[(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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The IUPAC name of 2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide (CID 121309737) is 2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide.
What is the SMILES notation for 2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The canonical SMILES for 2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide is COc1cccc(-c2nc3ccc(-c4ccccc4C(N)=O)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.
What is the InChIKey of 2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The InChIKey is BHRKHDFKWNFQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O3/c1-39-24-9-5-8-22(18-24)29-27(20-34-14-16-35(17-15-34)31(38)21-6-4-7-21)36-19-23(12-13-28(36)33-29)25-10-2-3-11-26(25)30(32)37/h2-3,5,8-13,18-19,21H,4,6-7,14-17,20H2,1H3,(H2,32,37).
What are the key properties of 2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide has a molecular weight of 523.64 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 121309737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).