3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine

C15H12N2O2 — CID 116836554

IUPAC3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine
SMILESCc1cc2c(cc1-c1ncc3ccccn13)OCO2
InChIInChI=1S/C15H12N2O2/c1-10-6-13-14(19-9-18-13)7-12(10)15-16-8-11-4-2-3-5-17(11)15/h2-8H,9H2,1H3
InChIKeyCKWVZIQSWLYPOA-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.04
Rot. Bonds1

About 3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine

3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine (PubChem CID 116836554) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine
PubChem CID116836554
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine
SMILESCc1cc2c(cc1-c1ncc3ccccn13)OCO2
InChIInChI=1S/C15H12N2O2/c1-10-6-13-14(19-9-18-13)7-12(10)15-16-8-11-4-2-3-5-17(11)15/h2-8H,9H2,1H3
InChIKeyCKWVZIQSWLYPOA-UHFFFAOYSA-N
XLogP3.04
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine (CID 116836554) is 3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine is Cc1cc2c(cc1-c1ncc3ccccn13)OCO2.
What is the InChIKey of 3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine?
The InChIKey is CKWVZIQSWLYPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-6-13-14(19-9-18-13)7-12(10)15-16-8-11-4-2-3-5-17(11)15/h2-8H,9H2,1H3.
What are the key properties of 3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine?
3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine has a molecular weight of 252.27 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-1,3-benzodioxol-5-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 116836554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).