ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate

C21H28N2O2 — CID 123618155

IUPACethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate
SMILESCC.CC.COC(=O)c1ccc2cnc(C)n2c1Cc1ccccc1
InChIInChI=1S/C17H16N2O2.2C2H6/c1-12-18-11-14-8-9-15(17(20)21-2)16(19(12)14)10-13-6-4-3-5-7-13;2*1-2/h3-9,11H,10H2,1-2H3;2*1-2H3
InChIKeyUGZIMAFIGUDDKI-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.07
Rot. Bonds3

About ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate

ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 123618155) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate
PubChem CID123618155
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Nameethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate
SMILESCC.CC.COC(=O)c1ccc2cnc(C)n2c1Cc1ccccc1
InChIInChI=1S/C17H16N2O2.2C2H6/c1-12-18-11-14-8-9-15(17(20)21-2)16(19(12)14)10-13-6-4-3-5-7-13;2*1-2/h3-9,11H,10H2,1-2H3;2*1-2H3
InChIKeyUGZIMAFIGUDDKI-UHFFFAOYSA-N
XLogP5.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-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 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate
CID 59140157
methyl 5-benzyl-1,2-oxazole-4-carboxylate
CID 14787243
1-O-benzyl 3-O-methyl 5-benzyl-4-hydroxypyrrole-1,3-dicarboxylate
CID 102228281
methyl 3-benzyl-2-hydroxy-5-methylbenzoate
CID 11858624
methyl 2-benzyl-4-methoxybenzoate
CID 166447478
methyl 2-benzyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 141364909
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
ethane;methyl 2-benzyl-1,3-oxazole-4-carboxylate
CID 91273560
methyl 4-(3-phenylpropoxy)pyridine-3-carboxylate
CID 132587685
pentamethyl 4-benzylcyclopenta-2,4-diene-1,1,2,3,5-pentacarboxylate
CID 10252976

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate (CID 123618155) is ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate is CC.CC.COC(=O)c1ccc2cnc(C)n2c1Cc1ccccc1.
What is the InChIKey of ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is UGZIMAFIGUDDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.2C2H6/c1-12-18-11-14-8-9-15(17(20)21-2)16(19(12)14)10-13-6-4-3-5-7-13;2*1-2/h3-9,11H,10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate?
ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 340.47 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 123618155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).