ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate

C14H18N2O2 — CID 66677880

IUPACethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2cc(C(C)(C)C)nc2c1
InChIInChI=1S/C14H18N2O2/c1-5-18-13(17)10-6-7-16-9-11(14(2,3)4)15-12(16)8-10/h6-9H,5H2,1-4H3
InChIKeyNRTMYAKKDQKGKX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.81
Rot. Bonds2

About ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate

ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 66677880) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate
PubChem CID66677880
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2cc(C(C)(C)C)nc2c1
InChIInChI=1S/C14H18N2O2/c1-5-18-13(17)10-6-7-16-9-11(14(2,3)4)15-12(16)8-10/h6-9H,5H2,1-4H3
InChIKeyNRTMYAKKDQKGKX-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 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 121232268
ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 123942366
(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid
CID 167350393
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
1-(2-methylimidazo[1,2-a]pyridin-7-yl)ethanone
CID 84654894
2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 9146654
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 1-amino-11-oxopyrrolo[2,1-b][3]benzazepine-9-carboxylate
CID 70626626
ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate
CID 21075145
methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256440
methyl 2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117135442

Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate (CID 66677880) is ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate is CCOC(=O)c1ccn2cc(C(C)(C)C)nc2c1.
What is the InChIKey of ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is NRTMYAKKDQKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-18-13(17)10-6-7-16-9-11(14(2,3)4)15-12(16)8-10/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate?
ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-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 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 66677880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).