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'}

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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).