3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid

C16H20N4O3 — CID 39122257

IUPAC3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(=O)N1CCN(Cc2c(C(=O)O)nc3c(C)cccn23)CC1
InChIInChI=1S/C16H20N4O3/c1-11-4-3-5-20-13(14(16(22)23)17-15(11)20)10-18-6-8-19(9-7-18)12(2)21/h3-5H,6-10H2,1-2H3,(H,22,23)
InChIKeyXJVJEOXNBNPRCF-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.01
Rot. Bonds3

About 3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid

3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 39122257) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID39122257
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC(=O)N1CCN(Cc2c(C(=O)O)nc3c(C)cccn23)CC1
InChIInChI=1S/C16H20N4O3/c1-11-4-3-5-20-13(14(16(22)23)17-15(11)20)10-18-6-8-19(9-7-18)12(2)21/h3-5H,6-10H2,1-2H3,(H,22,23)
InChIKeyXJVJEOXNBNPRCF-UHFFFAOYSA-N
XLogP1.01
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-hydroxyazetidin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863813
[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56861689
8-fluoro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82529628
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
[8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863882
methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
CID 25287404
8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 112547843
1-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-2-carboxamide
CID 56879410
(3aR,6aR)-5-acetyl-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72858595
2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
[3-[[(2R)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 95555324

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 39122257) is 3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid is CC(=O)N1CCN(Cc2c(C(=O)O)nc3c(C)cccn23)CC1.
What is the InChIKey of 3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is XJVJEOXNBNPRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-4-3-5-20-13(14(16(22)23)17-15(11)20)10-18-6-8-19(9-7-18)12(2)21/h3-5H,6-10H2,1-2H3,(H,22,23).
What are the key properties of 3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 39122257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).