3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate

C12H12N2O4 — CID 116984154

IUPAC3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OC)c2ccccn12
InChIInChI=1S/C12H12N2O4/c1-3-18-12(16)10-13-9(11(15)17-2)8-6-4-5-7-14(8)10/h4-7H,3H2,1-2H3
InChIKeyBGJHRYARGSEXAD-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.30
Rot. Bonds3

About 3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate

3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate (PubChem CID 116984154) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
PubChem CID116984154
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OC)c2ccccn12
InChIInChI=1S/C12H12N2O4/c1-3-18-12(16)10-13-9(11(15)17-2)8-6-4-5-7-14(8)10/h4-7H,3H2,1-2H3
InChIKeyBGJHRYARGSEXAD-UHFFFAOYSA-N
XLogP1.30
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253360
methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984145
methyl 3-(2-cyanoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984118
methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984091
methyl 3-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 3-prop-1-en-2-ylimidazo[1,5-a]pyridine-1-carboxylate;propane;trifluoro(prop-1-en-2-yl)boranuide
CID 161363631
ethyl 4-[[3-(propan-2-ylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109066459
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
2-methoxyethyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 56795161
ethyl 2-[[3-(propylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109066155
ethyl 1-(3-methoxyazetidin-1-yl)sulfonylimidazo[1,5-a]pyridine-3-carboxylate
CID 154769381
ethyl 1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate
CID 57436228
ethyl 4-[[3-(benzylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 165367492

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate?
The IUPAC name of 3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate (CID 116984154) is 3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate?
The canonical SMILES for 3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate is CCOC(=O)c1nc(C(=O)OC)c2ccccn12.
What is the InChIKey of 3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate?
The InChIKey is BGJHRYARGSEXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-3-18-12(16)10-13-9(11(15)17-2)8-6-4-5-7-14(8)10/h4-7H,3H2,1-2H3.
What are the key properties of 3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate?
3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate has a molecular weight of 248.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate is sourced from PubChem (CID 116984154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).