2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine

C16H16N4O — CID 117161034

IUPAC2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCOCC1)n2-c1ccncc1
InChIInChI=1S/C16H16N4O/c1-2-14-16(18-7-1)20(13-3-8-17-9-4-13)15(19-14)12-5-10-21-11-6-12/h1-4,7-9,12H,5-6,10-11H2
InChIKeyGWRFGPUHDPOCLO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds2

About 2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine

2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 117161034) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID117161034
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCOCC1)n2-c1ccncc1
InChIInChI=1S/C16H16N4O/c1-2-14-16(18-7-1)20(13-3-8-17-9-4-13)15(19-14)12-5-10-21-11-6-12/h1-4,7-9,12H,5-6,10-11H2
InChIKeyGWRFGPUHDPOCLO-UHFFFAOYSA-N
XLogP2.71
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine (CID 117161034) is 2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCOCC1)n2-c1ccncc1.
What is the InChIKey of 2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is GWRFGPUHDPOCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-14-16(18-7-1)20(13-3-8-17-9-4-13)15(19-14)12-5-10-21-11-6-12/h1-4,7-9,12H,5-6,10-11H2.
What are the key properties of 2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine?
2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 280.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117161034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).