Basic information
- Standard SMILES
Cn1cc(-c2ccccc2CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)cn1- InChIKey
IVZNDXLYJSZKHL-UHFFFAOYSA-N- Molecular formula
- C28H30N6O
- Average molar mass
- 466.6 g/mol
Names & identifiers
- Preferred name
- 2-(2-(1-methyl-1H-pyrazol-4-yl)benzyl)-9-(quinoxalin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
- IUPAC
- 2-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
Names & synonyms
SCHEMBL2026935IVZNDXLYJSZKHL-UHFFFAOYSA-N2-(2-(1-methyl-1H-pyrazol-4-yl)benzyl)-9-(quinoxalin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
Database identifiers
- PubChem CID
- 53259792
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 739
Related reactions
2 records
Compound notes
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