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Basic information
- Standard SMILES
COCCc1nnc(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)[nH]1- InChIKey
VGWHHQJFPFLCJC-UHFFFAOYSA-N- Molecular formula
- C29H32FN5O2
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 501.25400344
Names & identifiers
- Preferred name
- 4-(1-(4-Cyclobutyl-5-(5-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)-2-methylbenzoyl)-4-fluoropiperidin-4-yl)benzonitrile
- IUPAC
- 4-[1-[4-cyclobutyl-5-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]-2-methylbenzoyl]-4-fluoropiperidin-4-yl]benzonitrile
Names & synonyms
CHEMBL3661758SCHEMBL12489361VGWHHQJFPFLCJC-UHFFFAOYSA-NBDBM137088US8871790, 1564-(1-(4-Cyclobutyl-5-(5-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)-2-methylbenzoyl)-4-fluoropiperidin-4-yl)benzonitrile
Database identifiers
- PubChem CID
- 66548317
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 827
Related reactions
1 records
Compound notes
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