3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine

C24H17N3O2 — CID 140731051

IUPAC3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine
SMILESc1ccc(Oc2cccc(Oc3cccc(-c4ncc5ccccn45)c3)c2)nc1
InChIInChI=1S/C24H17N3O2/c1-3-13-25-23(12-1)29-22-11-6-10-21(16-22)28-20-9-5-7-18(15-20)24-26-17-19-8-2-4-14-27(19)24/h1-17H
InChIKeyQBRPRVKKMOJGLT-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.98
Rot. Bonds5

About 3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine

3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine (PubChem CID 140731051) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine
PubChem CID140731051
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine
SMILESc1ccc(Oc2cccc(Oc3cccc(-c4ncc5ccccn45)c3)c2)nc1
InChIInChI=1S/C24H17N3O2/c1-3-13-25-23(12-1)29-22-11-6-10-21(16-22)28-20-9-5-7-18(15-20)24-26-17-19-8-2-4-14-27(19)24/h1-17H
InChIKeyQBRPRVKKMOJGLT-UHFFFAOYSA-N
XLogP5.98
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine (CID 140731051) is 3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine is c1ccc(Oc2cccc(Oc3cccc(-c4ncc5ccccn45)c3)c2)nc1.
What is the InChIKey of 3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine?
The InChIKey is QBRPRVKKMOJGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-3-13-25-23(12-1)29-22-11-6-10-21(16-22)28-20-9-5-7-18(15-20)24-26-17-19-8-2-4-14-27(19)24/h1-17H.
What are the key properties of 3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine?
3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine has a molecular weight of 379.42 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 140731051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).