ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate

C13H16N2O3 — CID 166003368

IUPACethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate
SMILESCCOC(=O)CCOCc1cccc2nccn12
InChIInChI=1S/C13H16N2O3/c1-2-18-13(16)6-9-17-10-11-4-3-5-12-14-7-8-15(11)12/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyMGFWZDFYLPVYCF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.80
Rot. Bonds6

About ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate

ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate (PubChem CID 166003368) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate
PubChem CID166003368
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate
SMILESCCOC(=O)CCOCc1cccc2nccn12
InChIInChI=1S/C13H16N2O3/c1-2-18-13(16)6-9-17-10-11-4-3-5-12-14-7-8-15(11)12/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyMGFWZDFYLPVYCF-UHFFFAOYSA-N
XLogP1.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate 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

ethyl 2-[imidazo[1,2-a]pyridin-5-yl(propan-2-yl)amino]acetate
CID 102626836
ethyl 3-(1-methylpyrrol-2-yl)propanoate
CID 69110219
ethyl 4-(imidazo[1,2-a]pyridin-5-ylamino)piperidine-1-carboxylate
CID 102625354
imidazo[1,2-a]pyridin-5-ylmethanethiol
CID 89093379
ethyl 3-[(2-fluorophenyl)methoxy]propanoate
CID 63931594
ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
ethyl 3-(6-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 599304
3-(imidazo[1,2-a]pyridin-5-ylamino)-2,2-dimethylpropanamide
CID 106277717
imidazo[1,2-a]pyridin-5-ylmethyl 2-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 71845987
2-imidazo[1,2-a]pyridin-5-yl-N-(5-methylpyrazin-2-yl)acetamide
CID 125473713
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methoxyethanamine
CID 115883524

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate?
The IUPAC name of ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate (CID 166003368) is ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate.
What is the SMILES notation for ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate?
The canonical SMILES for ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate is CCOC(=O)CCOCc1cccc2nccn12.
What is the InChIKey of ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate?
The InChIKey is MGFWZDFYLPVYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-18-13(16)6-9-17-10-11-4-3-5-12-14-7-8-15(11)12/h3-5,7-8H,2,6,9-10H2,1H3.
What are the key properties of ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate?
ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate has a molecular weight of 248.28 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(imidazo[1,2-a]pyridin-5-ylmethoxy)propanoate is sourced from PubChem (CID 166003368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).