1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-sec-butyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-
Basic information
- CAS
20675-00-7- Standard SMILES
CCC(C)N1CCc2c(c3cc(C)ccc3n2CCc2ccc(C)nc2)C1- InChIKey
SNZSORFLOYWLPF-UHFFFAOYSA-N- Molecular formula
- C24H31N3
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.251798
Names & identifiers
- Preferred name
- 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-sec-butyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-
- IUPAC
- 2-butan-2-yl-8-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
- English name
- 2,3,4,5-Tetrahydro-2-sec-butyl-8-methyl-5-[2-(6-methyl-3-pyridyl)ethyl]-1H-pyrido[4,3-b]indole
- Molecular formula
- C24H31N3
- Molecular weight
- 361.52
Names & synonyms
20675-00-72,3,4,5-Tetrahydro-2-sec-butyl-8-methyl-5-[2-(6-methyl-3-pyridyl)ethyl]-1H-pyrido[4,3-b]indoleBRN 09643831H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-sec-butyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-2-(butan-2-yl)-8-methyl-5-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indoleSCHEMBL13696123DTXSID20942872DB-3643201H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-methyl-2-(1-methylpropyl)-5-[2-(6-methyl-3-pyridinyl)ethyl]-
Database identifiers
- CAS
20675-00-7- PubChem CID
- 209873
- DTXSID
DTXSID20942872- Nikkaji
- J85.818H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 21.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 480
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Compound notes
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