6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine

C16H16N2O — CID 117138079

IUPAC6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine
SMILESCOc1ccc2cnc(Cc3ccc(C)cc3)n2c1
InChIInChI=1S/C16H16N2O/c1-12-3-5-13(6-4-12)9-16-17-10-14-7-8-15(19-2)11-18(14)16/h3-8,10-11H,9H2,1-2H3
InChIKeyPWJDOCIXFVYKLI-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.24
Rot. Bonds3

About 6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine

6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine (PubChem CID 117138079) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine
PubChem CID117138079
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine
SMILESCOc1ccc2cnc(Cc3ccc(C)cc3)n2c1
InChIInChI=1S/C16H16N2O/c1-12-3-5-13(6-4-12)9-16-17-10-14-7-8-15(19-2)11-18(14)16/h3-8,10-11H,9H2,1-2H3
InChIKeyPWJDOCIXFVYKLI-UHFFFAOYSA-N
XLogP3.24
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine?
The IUPAC name of 6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine (CID 117138079) is 6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine is COc1ccc2cnc(Cc3ccc(C)cc3)n2c1.
What is the InChIKey of 6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine?
The InChIKey is PWJDOCIXFVYKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-3-5-13(6-4-12)9-16-17-10-14-7-8-15(19-2)11-18(14)16/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine?
6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine has a molecular weight of 252.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 117138079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).