ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate

C16H18N6O3 — CID 166339246

IUPACethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCCOC(=O)c1cccc2nc(Cn3nnn(C4CCC4)c3=O)cn12
InChIInChI=1S/C16H18N6O3/c1-2-25-15(23)13-7-4-8-14-17-11(9-20(13)14)10-21-16(24)22(19-18-21)12-5-3-6-12/h4,7-9,12H,2-3,5-6,10H2,1H3
InChIKeyANUQASDPLGLWEM-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.04
Rot. Bonds5

About ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate

ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 166339246) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID166339246
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Nameethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCCOC(=O)c1cccc2nc(Cn3nnn(C4CCC4)c3=O)cn12
InChIInChI=1S/C16H18N6O3/c1-2-25-15(23)13-7-4-8-14-17-11(9-20(13)14)10-21-16(24)22(19-18-21)12-5-3-6-12/h4,7-9,12H,2-3,5-6,10H2,1H3
InChIKeyANUQASDPLGLWEM-UHFFFAOYSA-N
XLogP1.04
TPSA96.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate with MolForge

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Related Compounds

(5-ethoxycarbonylimidazo[1,2-a]pyridin-2-yl)methyl-triphenylphosphanium
CID 87440786
5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 155820424
1-[(6-bromo-2-pyridinyl)methyl]-4-cyclopentyltetrazol-5-one
CID 167826325
ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139488029
diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
CID 125461582
ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate
CID 153343819
2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255785
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255839
1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one
CID 166304722
methyl 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117131444
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132108
ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate
CID 13480896

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 166339246) is ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate is CCOC(=O)c1cccc2nc(Cn3nnn(C4CCC4)c3=O)cn12.
What is the InChIKey of ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is ANUQASDPLGLWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-2-25-15(23)13-7-4-8-14-17-11(9-20(13)14)10-21-16(24)22(19-18-21)12-5-3-6-12/h4,7-9,12H,2-3,5-6,10H2,1H3.
What are the key properties of ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 342.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyclobutyl-5-oxotetrazol-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 166339246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).