methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate

C13H15N3O3 — CID 117253500

IUPACmethyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CNC2)n2cc(OC)ccc12
InChIInChI=1S/C13H15N3O3/c1-18-9-3-4-10-11(13(17)19-2)15-12(16(10)7-9)8-5-14-6-8/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyHQXFKRKQQYSAJF-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.82
Rot. Bonds3

About methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate

methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 117253500) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID117253500
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1nc(C2CNC2)n2cc(OC)ccc12
InChIInChI=1S/C13H15N3O3/c1-18-9-3-4-10-11(13(17)19-2)15-12(16(10)7-9)8-5-14-6-8/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyHQXFKRKQQYSAJF-UHFFFAOYSA-N
XLogP0.82
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-methoxy-3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253518
methyl 3-(azepan-3-yl)-6-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253559
methyl 3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117252886
3-(azetidin-3-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253497
methyl 3-(azetidin-3-yl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254652
methyl 3-(3-aminopropyl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117253835
6-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742664
methyl 7-hydroxy-3-piperidin-3-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254082
methyl 6-hydroxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117253657
methyl 6-amino-3-(azetidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253607
methyl 7-methoxy-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine-1-carboxylate
CID 117254222
methyl 3-(azepan-3-yl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117252914

Frequently Asked Questions

What is the IUPAC name of methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate (CID 117253500) is methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1nc(C2CNC2)n2cc(OC)ccc12.
What is the InChIKey of methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is HQXFKRKQQYSAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-9-3-4-10-11(13(17)19-2)15-12(16(10)7-9)8-5-14-6-8/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate?
methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(azetidin-3-yl)-6-methoxyimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 117253500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).