CAS 1951444-89-5

3-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-6-carbonitrile

Description:

3-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-6-carbonitrile is a chemical compound characterized by its complex structure, which includes an indole moiety and a hexahydroazepine ring. The presence of the carbonitrile functional group indicates that it contains a cyano group (-C≡N), which can influence its reactivity and solubility. This compound may exhibit biological activity due to the indole structure, which is often associated with various pharmacological properties. The hexahydroazepine component contributes to its potential as a ligand in medicinal chemistry, possibly interacting with biological targets such as receptors or enzymes. The molecular structure suggests that it may have moderate to high lipophilicity, affecting its absorption and distribution in biological systems. Additionally, the compound's synthesis and stability would depend on the specific conditions used, including temperature and solvent choice. Overall, 3-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-6-carbonitrile represents a class of compounds that could be of interest in drug discovery and development.

Formula: C₁₆H₁₉N₃

InChI: InChI=1S/C16H19N3/c17-10-13-5-6-15-14(11-18-16(15)9-13)12-19-7-3-1-2-4-8-19/h5-6,9,11,18H,1-4,7-8,12H2

InChI key: InChIKey=MSVAIIPWNHSZNF-UHFFFAOYSA-N

SMILES: C(C=1C=2C(NC1)=CC(C#N)=CC2)N3CCCCCC3

Synonyms:

• 3-[(Hexahydro-1H-azepin-1-yl)methyl]-1H-indole-6-carbonitrile
• 1H-Indole-6-carbonitrile, 3-[(hexahydro-1H-azepin-1-yl)methyl]-

3-(Azepan-1-ylmethyl)-1H-indole-6-carbonitrile

CAS: 1951444-89-5

Formula: C₁₆H₁₉N₃

Purity: 95.0%

Molecular weight: 253.349

Ref: 10-F471277