7-(pyridin-4-ylethynyl)-3,4,5,6-tetrahydro-1H-2,5-ethanoazepino[4,3-b]indole

HCID 53251266
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Basic information

Standard SMILES
C(#Cc1cccc2c3c([nH]c12)C1CCN(CC1)C3)c1ccncc1
InChIKey
UJCAKPLMFQVZHT-UHFFFAOYSA-N
Molecular formula
C21H19N3
Average molar mass
313.4 g/mol

Names & identifiers

Preferred name
7-(pyridin-4-ylethynyl)-3,4,5,6-tetrahydro-1H-2,5-ethanoazepino[4,3-b]indole
IUPAC
5-(2-pyridin-4-ylethynyl)-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene

Names & synonyms

SCHEMBL1990084UJCAKPLMFQVZHT-UHFFFAOYSA-N7-(pyridin-4-ylethynyl)-3,4,5,6-tetrahydro-1H-2,5-ethanoazepino[4,3-b]indole

Database identifiers

PubChem CID
53251266

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

Related reactions

2 records
New reaction record

Linked notes

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