Basic information
- Standard SMILES
COc1ccc(N2C[C@@]3(CCC[C@](C)(Cn4cnc5ccc(C#N)cc54)C3)OC2=O)cn1- InChIKey
RCIWZIZEVMHRQP-ZEQRLZLVSA-N- Molecular formula
- C24H25N5O3
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- 1-(((5S,7S)-3-(6-methoxypyridin-3-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H-benzo[d]imidazole-6-carbonitrile
- IUPAC
- 3-[[(5S,7S)-3-(6-methoxy-3-pyridinyl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile
Names & synonyms
SCHEMBL14638904SCHEMBL30284046RCIWZIZEVMHRQP-ZEQRLZLVSA-N1-(((5S,7S)-3-(6-methoxypyridin-3-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H-benzo[d]imidazole-6-carbonitrile
Database identifiers
- PubChem CID
- 71227583
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 770
Related reactions
2 records
Compound notes
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