Basic information
- Standard SMILES
Cc1cnc(CCn2c3c(c4cc(C(C)C)ccc42)CN(C)CC3)cn1- InChIKey
YRDMXXPRYJXYAQ-UHFFFAOYSA-N- Molecular formula
- C22H28N4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.23139691
Names & identifiers
- Preferred name
- 8-Isopropyl-2-methyl-5-[2-(5-methyl-pyrazin-2-yl)-ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- IUPAC
- 2-methyl-5-[2-(5-methylpyrazin-2-yl)ethyl]-8-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
Names & synonyms
SCHEMBL3717403YRDMXXPRYJXYAQ-UHFFFAOYSA-N8-Isopropyl-2-methyl-5-[2-(5-methyl-pyrazin-2-yl)-ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Database identifiers
- PubChem CID
- 57876232
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 467
Related reactions
6 records
Compound notes
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