methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate

C13H16N2O2 — CID 117142820

IUPACmethyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(C(C)(C)C)n12
InChIInChI=1S/C13H16N2O2/c1-13(2,3)12-14-8-9-6-5-7-10(15(9)12)11(16)17-4/h5-8H,1-4H3
InChIKeyAVEBXRNDNCMRMO-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.42
Rot. Bonds1

About methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate

methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117142820) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117142820
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2cnc(C(C)(C)C)n12
InChIInChI=1S/C13H16N2O2/c1-13(2,3)12-14-8-9-6-5-7-10(15(9)12)11(16)17-4/h5-8H,1-4H3
InChIKeyAVEBXRNDNCMRMO-UHFFFAOYSA-N
XLogP2.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142870
methyl 3-(3-hydroxypropyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142431
methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142725
methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142874
methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate
CID 117142779
methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255978
methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142818
methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117256025
methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255995
3-(2-aminopropan-2-yl)imidazo[1,5-a]pyridin-5-ol
CID 105444978
methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate
CID 76849593
methyl 1-(2-hydroxyethyl)pyrrole-2-carboxylate
CID 83827100

Frequently Asked Questions

What is the IUPAC name of methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate (CID 117142820) is methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2cnc(C(C)(C)C)n12.
What is the InChIKey of methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is AVEBXRNDNCMRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,3)12-14-8-9-6-5-7-10(15(9)12)11(16)17-4/h5-8H,1-4H3.
What are the key properties of methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate?
methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117142820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).