methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate

C13H16N2O2 — CID 116993125

IUPACmethyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate
SMILESCOC(=O)C(c1ncc2ccccn12)C(C)C
InChIInChI=1S/C13H16N2O2/c1-9(2)11(13(16)17-3)12-14-8-10-6-4-5-7-15(10)12/h4-9,11H,1-3H3
InChIKeySVHMISGEURBLKN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.25
Rot. Bonds3

About methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate

methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate (PubChem CID 116993125) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate
PubChem CID116993125
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate
SMILESCOC(=O)C(c1ncc2ccccn12)C(C)C
InChIInChI=1S/C13H16N2O2/c1-9(2)11(13(16)17-3)12-14-8-10-6-4-5-7-15(10)12/h4-9,11H,1-3H3
InChIKeySVHMISGEURBLKN-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate?
The IUPAC name of methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate (CID 116993125) is methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate.
What is the SMILES notation for methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate?
The canonical SMILES for methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate is COC(=O)C(c1ncc2ccccn12)C(C)C.
What is the InChIKey of methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate?
The InChIKey is SVHMISGEURBLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)11(13(16)17-3)12-14-8-10-6-4-5-7-15(10)12/h4-9,11H,1-3H3.
What are the key properties of methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate?
methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate has a molecular weight of 232.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-imidazo[1,5-a]pyridin-3-yl-3-methylbutanoate is sourced from PubChem (CID 116993125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).