3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine

C18H19N3O2 — CID 117163085

IUPAC3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(C3CCCCO3)nc3cccnc32)cc1
InChIInChI=1S/C18H19N3O2/c1-22-14-9-7-13(8-10-14)21-17-15(5-4-11-19-17)20-18(21)16-6-2-3-12-23-16/h4-5,7-11,16H,2-3,6,12H2,1H3
InChIKeyFOXCKCZPVBSPDL-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.67
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine

3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117163085) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117163085
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(C3CCCCO3)nc3cccnc32)cc1
InChIInChI=1S/C18H19N3O2/c1-22-14-9-7-13(8-10-14)21-17-15(5-4-11-19-17)20-18(21)16-6-2-3-12-23-16/h4-5,7-11,16H,2-3,6,12H2,1H3
InChIKeyFOXCKCZPVBSPDL-UHFFFAOYSA-N
XLogP3.67
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162643
3-(furan-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162943
3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162657
3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162517
3-ethyl-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162543
4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117162997
3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162835
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162855
(E)-3-(4-methoxyphenyl)-1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]prop-2-en-1-one
CID 25325846
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166531

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine (CID 117163085) is 3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine is COc1ccc(-n2c(C3CCCCO3)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is FOXCKCZPVBSPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-14-9-7-13(8-10-14)21-17-15(5-4-11-19-17)20-18(21)16-6-2-3-12-23-16/h4-5,7-11,16H,2-3,6,12H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 309.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).