6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

C21H24N4O2 — CID 28815698

IUPAC6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccc(N2CCN(c3ccc4nc(C)c(C(=O)O)n4c3)CC2)c1C
InChIInChI=1S/C21H24N4O2/c1-14-5-4-6-18(15(14)2)24-11-9-23(10-12-24)17-7-8-19-22-16(3)20(21(26)27)25(19)13-17/h4-8,13H,9-12H2,1-3H3,(H,26,27)
InChIKeyQDFWRWCUZDEDLD-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.28
Rot. Bonds3

About 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 28815698) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID28815698
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cccc(N2CCN(c3ccc4nc(C)c(C(=O)O)n4c3)CC2)c1C
InChIInChI=1S/C21H24N4O2/c1-14-5-4-6-18(15(14)2)24-11-9-23(10-12-24)17-7-8-19-22-16(3)20(21(26)27)25(19)13-17/h4-8,13H,9-12H2,1-3H3,(H,26,27)
InChIKeyQDFWRWCUZDEDLD-UHFFFAOYSA-N
XLogP3.28
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylpiperidin-1-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82022008
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
CID 155798999
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-nitrosobenzoic acid
CID 153403439
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide
CID 109194309
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 46559558
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methanesulfonamido)benzoic acid
CID 50781041
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897065
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988492
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108521011

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 28815698) is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cccc(N2CCN(c3ccc4nc(C)c(C(=O)O)n4c3)CC2)c1C.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is QDFWRWCUZDEDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-5-4-6-18(15(14)2)24-11-9-23(10-12-24)17-7-8-19-22-16(3)20(21(26)27)25(19)13-17/h4-8,13H,9-12H2,1-3H3,(H,26,27).
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 364.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 28815698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).