3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine

C16H16N4O — CID 117164786

IUPAC3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
SMILESc1ccc(-c2nc3cccnc3n2CC2CCOC2)nc1
InChIInChI=1S/C16H16N4O/c1-2-7-17-13(4-1)16-19-14-5-3-8-18-15(14)20(16)10-12-6-9-21-11-12/h1-5,7-8,12H,6,9-11H2
InChIKeyYCXWHCCQWULQPX-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.53
Rot. Bonds3

About 3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine

3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine (PubChem CID 117164786) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
PubChem CID117164786
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
SMILESc1ccc(-c2nc3cccnc3n2CC2CCOC2)nc1
InChIInChI=1S/C16H16N4O/c1-2-7-17-13(4-1)16-19-14-5-3-8-18-15(14)20(16)10-12-6-9-21-11-12/h1-5,7-8,12H,6,9-11H2
InChIKeyYCXWHCCQWULQPX-UHFFFAOYSA-N
XLogP2.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164787
2-(1-methylpyrrolidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160142
3-(oxolan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162242
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818
2-(oxolan-3-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160160
2-(1-chloroethyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 79295118
1-cyclopropyl-4-[4-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]piperazine
CID 119052018
3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162430
2-(oxan-4-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160721
2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165662
3-[(2-fluorophenyl)methyl]-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161305

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine (CID 117164786) is 3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine is c1ccc(-c2nc3cccnc3n2CC2CCOC2)nc1.
What is the InChIKey of 3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is YCXWHCCQWULQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-7-17-13(4-1)16-19-14-5-3-8-18-15(14)20(16)10-12-6-9-21-11-12/h1-5,7-8,12H,6,9-11H2.
What are the key properties of 3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine?
3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 280.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117164786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).