Basic information
- Standard SMILES
CCCc1c(Cc2ccc(-c3ccc(F)cc3C#N)cc2)c(=O)n(C2CCC3(CC2)OCCO3)c2nc(C)nn12- InChIKey
HAHNJECDPFNRHN-UHFFFAOYSA-N- Molecular formula
- C31H32FN5O3
- Average molar mass
- 541.6 g/mol
Names & identifiers
- Preferred name
- 4'-{[4-(1,4-Dioxaspiro[4.5]dec-8-yl)-2-methyl-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-4-fluorobiphenyl-2-carbonitrile
- IUPAC
- 2-[4-[[4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]-5-fluorobenzonitrile
Names & synonyms
SCHEMBL1373766HAHNJECDPFNRHN-UHFFFAOYSA-N4'-{[4-(1,4-dioxaspiro[4.5]dec-8-yl)-2-methyl-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-4-fluorobiphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 67010024
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
10 records
Compound notes
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