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

C13H11N3O — CID 56886529

IUPAC6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one
SMILESCn1ccc2c(-c3cccc(=O)[nH]3)ccnc21
InChIInChI=1S/C13H11N3O/c1-16-8-6-10-9(5-7-14-13(10)16)11-3-2-4-12(17)15-11/h2-8H,1H3,(H,15,17)
InChIKeyXIPCJOQFMIRJBD-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.93
Rot. Bonds1

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

6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one (PubChem CID 56886529) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one
PubChem CID56886529
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one
SMILESCn1ccc2c(-c3cccc(=O)[nH]3)ccnc21
InChIInChI=1S/C13H11N3O/c1-16-8-6-10-9(5-7-14-13(10)16)11-3-2-4-12(17)15-11/h2-8H,1H3,(H,15,17)
InChIKeyXIPCJOQFMIRJBD-UHFFFAOYSA-N
XLogP1.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one (CID 56886529) is 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one is Cn1ccc2c(-c3cccc(=O)[nH]3)ccnc21.
What is the InChIKey of 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
The InChIKey is XIPCJOQFMIRJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-16-8-6-10-9(5-7-14-13(10)16)11-3-2-4-12(17)15-11/h2-8H,1H3,(H,15,17).
What are the key properties of 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one?
6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one has a molecular weight of 225.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 56886529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).