2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine

C17H11N3O3 — CID 23025557

IUPAC2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1coc(-c2cnc3nc(-c4ccc5c(c4)OCO5)[nH]c3c2)c1
InChIInChI=1S/C17H11N3O3/c1-2-13(21-5-1)11-6-12-17(18-8-11)20-16(19-12)10-3-4-14-15(7-10)23-9-22-14/h1-8H,9H2,(H,18,19,20)
InChIKeyZBASVNYOWOJQGE-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.61
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine

2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 23025557) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID23025557
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1coc(-c2cnc3nc(-c4ccc5c(c4)OCO5)[nH]c3c2)c1
InChIInChI=1S/C17H11N3O3/c1-2-13(21-5-1)11-6-12-17(18-8-11)20-16(19-12)10-3-4-14-15(7-10)23-9-22-14/h1-8H,9H2,(H,18,19,20)
InChIKeyZBASVNYOWOJQGE-UHFFFAOYSA-N
XLogP3.61
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine (CID 23025557) is 2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine is c1coc(-c2cnc3nc(-c4ccc5c(c4)OCO5)[nH]c3c2)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZBASVNYOWOJQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c1-2-13(21-5-1)11-6-12-17(18-8-11)20-16(19-12)10-3-4-14-15(7-10)23-9-22-14/h1-8H,9H2,(H,18,19,20).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine?
2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 305.29 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).