3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid

C14H18N4O2 — CID 39121604

IUPAC3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCN1CCN(Cc2c(C(=O)O)nc3ccccn23)CC1
InChIInChI=1S/C14H18N4O2/c1-16-6-8-17(9-7-16)10-11-13(14(19)20)15-12-4-2-3-5-18(11)12/h2-5H,6-10H2,1H3,(H,19,20)
InChIKeyGCXYZSOQPRPCDJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.78
Rot. Bonds3

About 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid

3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 39121604) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID39121604
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCN1CCN(Cc2c(C(=O)O)nc3ccccn23)CC1
InChIInChI=1S/C14H18N4O2/c1-16-6-8-17(9-7-16)10-11-13(14(19)20)15-12-4-2-3-5-18(11)12/h2-5H,6-10H2,1H3,(H,19,20)
InChIKeyGCXYZSOQPRPCDJ-UHFFFAOYSA-N
XLogP0.78
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 39121604) is 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is CN1CCN(Cc2c(C(=O)O)nc3ccccn23)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is GCXYZSOQPRPCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-16-6-8-17(9-7-16)10-11-13(14(19)20)15-12-4-2-3-5-18(11)12/h2-5H,6-10H2,1H3,(H,19,20).
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 39121604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).