5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one

C17H15N3O — CID 134472554

IUPAC5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one
SMILESCc1ccc2cc(C)n(-c3ccc4c(c3)CC(=O)N4)c2n1
InChIInChI=1S/C17H15N3O/c1-10-3-4-12-7-11(2)20(17(12)18-10)14-5-6-15-13(8-14)9-16(21)19-15/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyHLCUJLBHGZEMTO-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.14
Rot. Bonds1

About 5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one

5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 134472554) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one
PubChem CID134472554
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one
SMILESCc1ccc2cc(C)n(-c3ccc4c(c3)CC(=O)N4)c2n1
InChIInChI=1S/C17H15N3O/c1-10-3-4-12-7-11(2)20(17(12)18-10)14-5-6-15-13(8-14)9-16(21)19-15/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyHLCUJLBHGZEMTO-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one (CID 134472554) is 5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one is Cc1ccc2cc(C)n(-c3ccc4c(c3)CC(=O)N4)c2n1.
What is the InChIKey of 5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is HLCUJLBHGZEMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-10-3-4-12-7-11(2)20(17(12)18-10)14-5-6-15-13(8-14)9-16(21)19-15/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one?
5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 277.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 134472554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).