ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate

C14H18N2O2 — CID 166563440

IUPACethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C(C)(C)C)cccn12
InChIInChI=1S/C14H18N2O2/c1-5-18-13(17)11-9-15-12-10(14(2,3)4)7-6-8-16(11)12/h6-9H,5H2,1-4H3
InChIKeyCOLDXCAEBRDXAP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.81
Rot. Bonds2

About ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate

ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 166563440) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID166563440
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C(C)(C)C)cccn12
InChIInChI=1S/C14H18N2O2/c1-5-18-13(17)11-9-15-12-10(14(2,3)4)7-6-8-16(11)12/h6-9H,5H2,1-4H3
InChIKeyCOLDXCAEBRDXAP-UHFFFAOYSA-N
XLogP2.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 90090238
8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 166563458
3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588419
ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid
CID 91757252
methyl 8-aminoimidazo[1,2-a]pyridine-3-carboxylate
CID 131336795
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 1H-imidazo[1,2-a]imidazole-5-carboxylate
CID 177179793
ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 149302059
ethyl 3-amino-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82529177
ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 163342934

Frequently Asked Questions

What is the IUPAC name of ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate (CID 166563440) is ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2c(C(C)(C)C)cccn12.
What is the InChIKey of ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is COLDXCAEBRDXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-18-13(17)11-9-15-12-10(14(2,3)4)7-6-8-16(11)12/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 166563440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).