Basic information
- Standard SMILES
CC(C)Oc1ncccc1Nc1cc(C#N)c2c(c1)[C@@H]1CNCC[C@@H]1N2C- InChIKey
LXYRKEPNMLKLDF-HKUYNNGSSA-N- Molecular formula
- C21H25N5O
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.20591044
Names & identifiers
- Preferred name
- (4aS,9bR)-8-(2-isopropoxy-pyridin-3-ylamino)-5-methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole-6-carbonitrile
- IUPAC
- (4aS,9bR)-5-methyl-8-[(2-propan-2-yloxy-3-pyridinyl)amino]-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole-6-carbonitrile
Names & synonyms
SCHEMBL1843159LXYRKEPNMLKLDF-HKUYNNGSSA-N(4aS,9bR)-8-(2-isopropoxy-pyridin-3-ylamino)-5-methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole-6-carbonitrile
Database identifiers
- PubChem CID
- 58700396
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 560
Related reactions
1 records
Compound notes
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