3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridine
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Basic information
- Standard SMILES
C1=C(c2c[nH]c3ncccc23)CCN(CCOc2cccc3[nH]ccc23)C1- InChIKey
RTLZRRBLSUHEBN-UHFFFAOYSA-N- Molecular formula
- C22H22N4O
- Average molar mass
- 358.4 g/mol
Names & identifiers
- Preferred name
- 3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
Names & synonyms
CHEMBL1042293-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridineSCHEMBL7554088RTLZRRBLSUHEBN-UHFFFAOYSA-NBDBM50109061
Database identifiers
- PubChem CID
- 9820163
- ChEMBL
CHEMBL104229- Nikkaji
- J1.692.474A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 538
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Related reactions
1 records
Compound notes
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