1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine

C13H15BrN2O2 — CID 84744388

IUPAC1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine
SMILESCOc1ccc2c(Br)nc(C3CCOCC3)n2c1
InChIInChI=1S/C13H15BrN2O2/c1-17-10-2-3-11-12(14)15-13(16(11)8-10)9-4-6-18-7-5-9/h2-3,8-9H,4-7H2,1H3
InChIKeyWJRIJRPKLVDOGK-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.00
Rot. Bonds2

About 1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine

1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine (PubChem CID 84744388) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine
PubChem CID84744388
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine
SMILESCOc1ccc2c(Br)nc(C3CCOCC3)n2c1
InChIInChI=1S/C13H15BrN2O2/c1-17-10-2-3-11-12(14)15-13(16(11)8-10)9-4-6-18-7-5-9/h2-3,8-9H,4-7H2,1H3
InChIKeyWJRIJRPKLVDOGK-UHFFFAOYSA-N
XLogP3.00
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-6-methoxyimidazo[1,5-a]pyridine-1-carbaldehyde
CID 84742461
1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83904650
1-bromo-3-cyclohexyl-N,N-dimethylimidazo[1,5-a]pyridin-6-amine
CID 84744725
7-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117142924
1-bromo-3-(oxan-4-yl)imidazo[1,5-a]pyridin-8-amine
CID 117252237
1-bromo-6-methoxy-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 84744176
methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253500
1-bromo-6-methoxy-3-pyridin-3-ylimidazo[1,5-a]pyridine
CID 84744177
1-bromo-3-(3,4-difluorophenyl)-6-methoxyimidazo[1,5-a]pyridine
CID 84745174
methyl 6-methoxy-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253518
1-bromo-6-methyl-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84743889
6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137949

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine (CID 84744388) is 1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine is COc1ccc2c(Br)nc(C3CCOCC3)n2c1.
What is the InChIKey of 1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine?
The InChIKey is WJRIJRPKLVDOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-17-10-2-3-11-12(14)15-13(16(11)8-10)9-4-6-18-7-5-9/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine?
1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine has a molecular weight of 311.18 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 84744388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).