6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C13H9N5O — CID 142707108

IUPAC6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(-c3cnc4[nH]ccc4c3)cnc2[nH]1
InChIInChI=1S/C13H9N5O/c19-13-17-10-4-9(6-16-12(10)18-13)8-3-7-1-2-14-11(7)15-5-8/h1-6H,(H,14,15)(H2,16,17,18,19)
InChIKeyOHLKAILQKULMGT-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.79
Rot. Bonds1

About 6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 142707108) has the molecular formula C13H9N5O and a molecular weight of 251.25 g/mol. Its IUPAC name is 6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID142707108
Molecular FormulaC13H9N5O
Molecular Weight251.25 g/mol
Exact Mass251.08
IUPAC Name6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(-c3cnc4[nH]ccc4c3)cnc2[nH]1
InChIInChI=1S/C13H9N5O/c19-13-17-10-4-9(6-16-12(10)18-13)8-3-7-1-2-14-11(7)15-5-8/h1-6H,(H,14,15)(H2,16,17,18,19)
InChIKeyOHLKAILQKULMGT-UHFFFAOYSA-N
XLogP1.79
TPSA90.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 142707108) is 6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(-c3cnc4[nH]ccc4c3)cnc2[nH]1.
What is the InChIKey of 6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is OHLKAILQKULMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O/c19-13-17-10-4-9(6-16-12(10)18-13)8-3-7-1-2-14-11(7)15-5-8/h1-6H,(H,14,15)(H2,16,17,18,19).
What are the key properties of 6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 251.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 142707108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).