1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid

C14H16N4O3 — CID 107439791

IUPAC1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1ccc2nc(CN3CC(=O)NCC3C(=O)O)cn2c1
InChIInChI=1S/C14H16N4O3/c1-9-2-3-12-16-10(7-18(12)5-9)6-17-8-13(19)15-4-11(17)14(20)21/h2-3,5,7,11H,4,6,8H2,1H3,(H,15,19)(H,20,21)
InChIKeyOZGFEILWJHCJGV-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.03
Rot. Bonds3

About 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid

1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107439791) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107439791
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1ccc2nc(CN3CC(=O)NCC3C(=O)O)cn2c1
InChIInChI=1S/C14H16N4O3/c1-9-2-3-12-16-10(7-18(12)5-9)6-17-8-13(19)15-4-11(17)14(20)21/h2-3,5,7,11H,4,6,8H2,1H3,(H,15,19)(H,20,21)
InChIKeyOZGFEILWJHCJGV-UHFFFAOYSA-N
XLogP0.03
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylic acid
CID 114426519
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid
CID 107439869
1-[(4-fluoro-2-methylphenyl)methyl]-5-oxopiperazine-2-carboxylic acid
CID 107440024
methyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-2-carboxylate
CID 78915575
2-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521725
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-oxopiperazine-2-carboxylic acid
CID 107439578
3-(6-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 4912874
1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441956
1-[(2-methyl-3-nitrophenyl)methyl]-5-oxopiperazine-2-carboxylic acid
CID 107439741
(2S)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
CID 83192556
1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid
CID 119355795
2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 66209525

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid (CID 107439791) is 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid is Cc1ccc2nc(CN3CC(=O)NCC3C(=O)O)cn2c1.
What is the InChIKey of 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is OZGFEILWJHCJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-2-3-12-16-10(7-18(12)5-9)6-17-8-13(19)15-4-11(17)14(20)21/h2-3,5,7,11H,4,6,8H2,1H3,(H,15,19)(H,20,21).
What are the key properties of 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid?
1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107439791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).