Basic information
- Standard SMILES
C(#Cc1cccc2c3c([nH]c12)C1CCN(CC1)C3)c1cccnc1- InChIKey
YZLNTDYPYDQWPJ-UHFFFAOYSA-N- Molecular formula
- C21H19N3
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- 7-(pyridin-3-ylethynyl)-3,4,5,6-tetrahydro-1H-2,5-ethanoazepino[4,3-b]indole
- IUPAC
- 5-(2-pyridin-3-ylethynyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene
Names & synonyms
SCHEMBL1993576YZLNTDYPYDQWPJ-UHFFFAOYSA-N7-(pyridin-3-ylethynyl)-3,4,5,6-tetrahydro-1H-2,5-ethanoazepino[4,3-b]indole
Database identifiers
- PubChem CID
- 53251102
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 31.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 524
Related reactions
2 records
Compound notes
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