3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine

C15H22N4O — CID 117163871

IUPAC3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOCCn1c(CC2CCCNC2)nc2cccnc21
InChIInChI=1S/C15H22N4O/c1-20-9-8-19-14(10-12-4-2-6-16-11-12)18-13-5-3-7-17-15(13)19/h3,5,7,12,16H,2,4,6,8-11H2,1H3
InChIKeyYQCYVWQNAFMACS-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.62
Rot. Bonds5

About 3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine

3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163871) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163871
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOCCn1c(CC2CCCNC2)nc2cccnc21
InChIInChI=1S/C15H22N4O/c1-20-9-8-19-14(10-12-4-2-6-16-11-12)18-13-5-3-7-17-15(13)19/h3,5,7,12,16H,2,4,6,8-11H2,1H3
InChIKeyYQCYVWQNAFMACS-UHFFFAOYSA-N
XLogP1.62
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117163871) is 3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is COCCn1c(CC2CCCNC2)nc2cccnc21.
What is the InChIKey of 3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is YQCYVWQNAFMACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-20-9-8-19-14(10-12-4-2-6-16-11-12)18-13-5-3-7-17-15(13)19/h3,5,7,12,16H,2,4,6,8-11H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 274.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).