4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine

C13H16N4O — CID 19694172

IUPAC4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine
SMILESCn1cnc2c(OC3CN4CCC3C4)nccc21
InChIInChI=1S/C13H16N4O/c1-16-8-15-12-10(16)2-4-14-13(12)18-11-7-17-5-3-9(11)6-17/h2,4,8-9,11H,3,5-7H2,1H3
InChIKeyVORGNLJDRMUZEY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.05
Rot. Bonds2

About 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine

4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine (PubChem CID 19694172) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine
PubChem CID19694172
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine
SMILESCn1cnc2c(OC3CN4CCC3C4)nccc21
InChIInChI=1S/C13H16N4O/c1-16-8-15-12-10(16)2-4-14-13(12)18-11-7-17-5-3-9(11)6-17/h2,4,8-9,11H,3,5-7H2,1H3
InChIKeyVORGNLJDRMUZEY-UHFFFAOYSA-N
XLogP1.05
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine?
The IUPAC name of 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine (CID 19694172) is 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine is Cn1cnc2c(OC3CN4CCC3C4)nccc21.
What is the InChIKey of 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine?
The InChIKey is VORGNLJDRMUZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-8-15-12-10(16)2-4-14-13(12)18-11-7-17-5-3-9(11)6-17/h2,4,8-9,11H,3,5-7H2,1H3.
What are the key properties of 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine?
4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine has a molecular weight of 244.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 19694172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).