Basic information
- Standard SMILES
CCCCc1c(Cc2ccc(-c3ccccc3C#N)nc2)c(=O)n(C2CCC(O)CC2)c2ccnn12- InChIKey
ZXKREDURKJECQO-UHFFFAOYSA-N- Molecular formula
- C29H31N5O2
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.24777525
Names & identifiers
- Preferred name
- 2-(5-{[7-Butyl-4-(trans-4-hydroxycyclohexyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methyl}pyridin-2-yl)benzonitrile
- IUPAC
- 2-[5-[[7-butyl-4-(4-hydroxycyclohexyl)-5-oxopyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile
Names & synonyms
SCHEMBL1372431SCHEMBL1372433ZXKREDURKJECQO-YHBQERECSA-N2-(5-{[7-butyl-4-(trans-4-hydroxycyclohexyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methyl}pyridin-2-yl)benzonitrile
Database identifiers
- PubChem CID
- 67009502
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 857
Related reactions
1 records
Compound notes
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