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

C15H20N4O2 — CID 82028866

IUPAC2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCN1CCN(Cc2c(CC(=O)O)nc3ccccn23)CC1
InChIInChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)11-13-12(10-15(20)21)16-14-4-2-3-5-19(13)14/h2-5H,6-11H2,1H3,(H,20,21)
InChIKeyMSNPVRONAPPZLY-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.71
Rot. Bonds4

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

2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 82028866) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID82028866
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESCN1CCN(Cc2c(CC(=O)O)nc3ccccn23)CC1
InChIInChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)11-13-12(10-15(20)21)16-14-4-2-3-5-19(13)14/h2-5H,6-11H2,1H3,(H,20,21)
InChIKeyMSNPVRONAPPZLY-UHFFFAOYSA-N
XLogP0.71
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
2-[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028868
2-[6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 39119804
2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridin-2-yl]acetic acid
CID 92858132
2-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028883
2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055184
1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 84565909
2-[2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159599
2-(3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797826
(E)-5-[3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]pent-4-en-2-one
CID 170250548
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid (CID 82028866) is 2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid is CN1CCN(Cc2c(CC(=O)O)nc3ccccn23)CC1.
What is the InChIKey of 2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is MSNPVRONAPPZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)11-13-12(10-15(20)21)16-14-4-2-3-5-19(13)14/h2-5H,6-11H2,1H3,(H,20,21).
What are the key properties of 2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 82028866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).