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

C18H19N3O2 — CID 117161371

IUPAC3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOc1cccc(-n2c(CC3CCOC3)nc3cccnc32)c1
InChIInChI=1S/C18H19N3O2/c1-22-15-5-2-4-14(11-15)21-17(10-13-7-9-23-12-13)20-16-6-3-8-19-18(16)21/h2-6,8,11,13H,7,9-10,12H2,1H3
InChIKeyZALQALZOWFZSBC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.01
Rot. Bonds4

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

3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161371) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161371
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOc1cccc(-n2c(CC3CCOC3)nc3cccnc32)c1
InChIInChI=1S/C18H19N3O2/c1-22-15-5-2-4-14(11-15)21-17(10-13-7-9-23-12-13)20-16-6-3-8-19-18(16)21/h2-6,8,11,13H,7,9-10,12H2,1H3
InChIKeyZALQALZOWFZSBC-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117161371) is 3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine is COc1cccc(-n2c(CC3CCOC3)nc3cccnc32)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZALQALZOWFZSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-15-5-2-4-14(11-15)21-17(10-13-7-9-23-12-13)20-16-6-3-8-19-18(16)21/h2-6,8,11,13H,7,9-10,12H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine?
3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 309.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).