2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one

C16H11N3O2 — CID 135878278

IUPAC2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one
SMILESCc1ccc2[nH]c(O)c(C3=Nc4ncccc4C3=O)c2c1
InChIInChI=1S/C16H11N3O2/c1-8-4-5-11-10(7-8)12(16(21)18-11)13-14(20)9-3-2-6-17-15(9)19-13/h2-7,18,21H,1H3
InChIKeyDAYRWBYARKKHNV-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.89
Rot. Bonds1

About 2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one

2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one (PubChem CID 135878278) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one
PubChem CID135878278
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one
SMILESCc1ccc2[nH]c(O)c(C3=Nc4ncccc4C3=O)c2c1
InChIInChI=1S/C16H11N3O2/c1-8-4-5-11-10(7-8)12(16(21)18-11)13-14(20)9-3-2-6-17-15(9)19-13/h2-7,18,21H,1H3
InChIKeyDAYRWBYARKKHNV-UHFFFAOYSA-N
XLogP2.89
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one?
The IUPAC name of 2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one (CID 135878278) is 2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one.
What is the SMILES notation for 2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one?
The canonical SMILES for 2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one is Cc1ccc2[nH]c(O)c(C3=Nc4ncccc4C3=O)c2c1.
What is the InChIKey of 2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one?
The InChIKey is DAYRWBYARKKHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-8-4-5-11-10(7-8)12(16(21)18-11)13-14(20)9-3-2-6-17-15(9)19-13/h2-7,18,21H,1H3.
What are the key properties of 2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one?
2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one has a molecular weight of 277.28 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one is sourced from PubChem (CID 135878278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).