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

C18H19N3O2 — CID 117162517

IUPAC3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccccc1Cn1c(C2CCCO2)nc2cccnc21
InChIInChI=1S/C18H19N3O2/c1-22-15-8-3-2-6-13(15)12-21-17-14(7-4-10-19-17)20-18(21)16-9-5-11-23-16/h2-4,6-8,10,16H,5,9,11-12H2,1H3
InChIKeyZPHIYPQBHMCXPN-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.34
Rot. Bonds4

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

3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162517) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162517
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
SMILESCOc1ccccc1Cn1c(C2CCCO2)nc2cccnc21
InChIInChI=1S/C18H19N3O2/c1-22-15-8-3-2-6-13(15)12-21-17-14(7-4-10-19-17)20-18(21)16-9-5-11-23-16/h2-4,6-8,10,16H,5,9,11-12H2,1H3
InChIKeyZPHIYPQBHMCXPN-UHFFFAOYSA-N
XLogP3.34
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162543
3-(furan-2-ylmethyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162710
4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117162997
3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117163085
3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110449
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162643
1-(2,6-dimethoxyphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960725
3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162855
3-(furan-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162943
3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162519
2-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165282

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine (CID 117162517) is 3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine is COc1ccccc1Cn1c(C2CCCO2)nc2cccnc21.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is ZPHIYPQBHMCXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-15-8-3-2-6-13(15)12-21-17-14(7-4-10-19-17)20-18(21)16-9-5-11-23-16/h2-4,6-8,10,16H,5,9,11-12H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine?
3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 309.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).