2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one

C16H11N3O2 — CID 135911865

IUPAC2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one
SMILESCn1c(O)c(C2=Nc3ccccc3C2=O)c2cccnc21
InChIInChI=1S/C16H11N3O2/c1-19-15-10(6-4-8-17-15)12(16(19)21)13-14(20)9-5-2-3-7-11(9)18-13/h2-8,21H,1H3
InChIKeyGPPOKLSNKCXZPQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.60
Rot. Bonds1

About 2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one

2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one (PubChem CID 135911865) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one
PubChem CID135911865
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one
SMILESCn1c(O)c(C2=Nc3ccccc3C2=O)c2cccnc21
InChIInChI=1S/C16H11N3O2/c1-19-15-10(6-4-8-17-15)12(16(19)21)13-14(20)9-5-2-3-7-11(9)18-13/h2-8,21H,1H3
InChIKeyGPPOKLSNKCXZPQ-UHFFFAOYSA-N
XLogP2.60
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one?
The IUPAC name of 2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one (CID 135911865) is 2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one.
What is the SMILES notation for 2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one?
The canonical SMILES for 2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one is Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccnc21.
What is the InChIKey of 2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one?
The InChIKey is GPPOKLSNKCXZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-19-15-10(6-4-8-17-15)12(16(19)21)13-14(20)9-5-2-3-7-11(9)18-13/h2-8,21H,1H3.
What are the key properties of 2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one?
2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one has a molecular weight of 277.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)indol-3-one is sourced from PubChem (CID 135911865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).