3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one

C13H9N3O3 — CID 11961739

IUPAC3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1-c1ccc2c(c1)OCO2
InChIInChI=1S/C13H9N3O3/c17-13-15-9-2-1-5-14-12(9)16(13)8-3-4-10-11(6-8)19-7-18-10/h1-6H,7H2,(H,15,17)
InChIKeyQPSXAAGDASBOCX-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.44
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one

3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 11961739) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID11961739
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cccnc2n1-c1ccc2c(c1)OCO2
InChIInChI=1S/C13H9N3O3/c17-13-15-9-2-1-5-14-12(9)16(13)8-3-4-10-11(6-8)19-7-18-10/h1-6H,7H2,(H,15,17)
InChIKeyQPSXAAGDASBOCX-UHFFFAOYSA-N
XLogP1.44
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one (CID 11961739) is 3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cccnc2n1-c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is QPSXAAGDASBOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-13-15-9-2-1-5-14-12(9)16(13)8-3-4-10-11(6-8)19-7-18-10/h1-6H,7H2,(H,15,17).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one?
3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 255.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 11961739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).