structure of 6-Methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

6-Methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

CAS No.: 1000340-62-4
M. Wt: 157.172
M. Fa: C9H7N3
InChI Key: LJSPMLBMBSJULN-UHFFFAOYSA-N

Names and Identifiers of 1000340-62-4

CAS Number

1000340-62-4

MDL Number

MFCD09880149

IUPAC Name

6-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

InChI

InChI=1S/C9H7N3/c1-6-4-7(5-10)8-2-3-11-9(8)12-6/h2-4H,1H3,(H,11,12)

InChIKey

LJSPMLBMBSJULN-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=C2C=CNC2=N1)C#N

UNSPSC Code

12352100

Physical and chemical properties of 1000340-62-4

Density

1.3±0.1 g/cm3

Exact Mass

157.063995

H Bond Acceptors

2

H Bond Donors

1

Index of Refraction

1.658

LogP

3.06

Molecular Formula

C9H7N3

Molecular Weight

157.172

PSA

52.47000

Storage condition

2-8°C

Safety Information of 1000340-62-4

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000340-62-4

The unique properties of 6-Methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile make it applicable in various fields:

  • Pharmaceuticals: Its potential as a drug candidate for treating cancer and other diseases due to its enzyme inhibition characteristics.
  • Material Science: The compound's structural properties may lend themselves to applications in organic electronics or as precursors for novel materials.
  • Chemical Research: As a building block in organic synthesis for creating more complex molecules .

Interaction Studies of 1000340-62-4

Interaction studies have indicated that 6-Methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile can interact with various biological targets due to its ability to inhibit specific enzymes. This interaction profile is crucial for understanding its pharmacological potential and predicting drug-drug interactions. Studies focusing on its binding affinity and selectivity towards different cytochrome P450 enzymes are particularly relevant .

Biological Activity of 1000340-62-4

Research indicates that 6-Methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile exhibits significant biological activity. It has been shown to act as an inhibitor for certain cytochrome P450 enzymes, particularly CYP1A2, which is involved in drug metabolism. This inhibition can influence pharmacokinetics and drug interactions in therapeutic settings. Additionally, the compound may possess anti-cancer properties, although further studies are required to elucidate its mechanisms of action .