5-[3-(naphthalene-1-carbonyl)-1H-indol-1-yl]pentanenitrile

• ChemBase ID: 125768
• Molecular Formular: C24H20N2O
• Molecular Mass: 352.4284
• Monoisotopic Mass: 352.15756327
• SMILES: c1ccc2c(c1)cccc2C(=O)c1cn(c2c1cccc2)CCCCC#N
• Canonical SMILES: N#CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C24H20N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,16H2
• InChIKey: VWVAIBKHFCUSMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(naphthalene-1-carbonyl)-1H-indol-1-yl]pentanenitrile
• IUPAC Traditional name: 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanenitrile
• Synonyms: AM-2232

Database IDs

• CAS Number: 335161-19-8
• PubChem SID: 162220115
• PubChem CID: 57458892
• Chemspider ID: 26633898
• Wikipedia Title: AM-2232

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.2506886
• LogD (pH = 7.4): 5.2506886
• Log P: 5.2506886
• Molar Refractivity: 108.1862 cm^3
• Polarizability: 43.833717 Å^3
• Polar Surface Area: 45.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Legal Status: Temporary Class Drug (NZ)