ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate

C13H14N2O2 — CID 67953969

IUPACethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccccn2c1C1CC1
InChIInChI=1S/C13H14N2O2/c1-2-17-13(16)11-12(9-6-7-9)15-8-4-3-5-10(15)14-11/h3-5,8-9H,2,6-7H2,1H3
InChIKeyFMJCTAXVFVOLAX-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.39
Rot. Bonds3

About ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate

ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 67953969) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID67953969
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nameethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccccn2c1C1CC1
InChIInChI=1S/C13H14N2O2/c1-2-17-13(16)11-12(9-6-7-9)15-8-4-3-5-10(15)14-11/h3-5,8-9H,2,6-7H2,1H3
InChIKeyFMJCTAXVFVOLAX-UHFFFAOYSA-N
XLogP2.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
ethyl 3-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82054865
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate
CID 22267745
ethyl 2-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 131383872
ethyl 5-cyclopropyl-1-(2-phenylethyl)triazole-4-carboxylate
CID 103106922
ethyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10108596
ethyl 2-[(E)-5-chloro-1,2,3,3,4,4,5,5-octafluoropent-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate
CID 10789086
2-bromoiodanuidyl-3-cyclopropylimidazo[1,2-a]pyridine
CID 178182334
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
CID 75480680
ethyl 2-(4-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 21280357

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate (CID 67953969) is ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccccn2c1C1CC1.
What is the InChIKey of ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is FMJCTAXVFVOLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-17-13(16)11-12(9-6-7-9)15-8-4-3-5-10(15)14-11/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 67953969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).