methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate

C11H12N2O2 — CID 755885

IUPACmethyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate
SMILESCOC(=O)CCc1cn2ccccc2n1
InChIInChI=1S/C11H12N2O2/c1-15-11(14)6-5-9-8-13-7-3-2-4-10(13)12-9/h2-4,7-8H,5-6H2,1H3
InChIKeyDVPSJZJBTMNPLD-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.44
Rot. Bonds3

About methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate

methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate (PubChem CID 755885) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate
PubChem CID755885
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate
SMILESCOC(=O)CCc1cn2ccccc2n1
InChIInChI=1S/C11H12N2O2/c1-15-11(14)6-5-9-8-13-7-3-2-4-10(13)12-9/h2-4,7-8H,5-6H2,1H3
InChIKeyDVPSJZJBTMNPLD-UHFFFAOYSA-N
XLogP1.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate?
The IUPAC name of methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate (CID 755885) is methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate.
What is the SMILES notation for methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate?
The canonical SMILES for methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate is COC(=O)CCc1cn2ccccc2n1.
What is the InChIKey of methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate?
The InChIKey is DVPSJZJBTMNPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-11(14)6-5-9-8-13-7-3-2-4-10(13)12-9/h2-4,7-8H,5-6H2,1H3.
What are the key properties of methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate?
methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate has a molecular weight of 204.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-imidazo[1,2-a]pyridin-2-ylpropanoate is sourced from PubChem (CID 755885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).