Basic information
- Standard SMILES
O=C(O)C1(NCc2ccc(-c3noc(-c4nnn(-c5ccccc5F)c4-c4ccncc4)n3)cc2)CC1- InChIKey
GDQDUOOZCGFIAH-UHFFFAOYSA-N- Molecular formula
- C26H20FN7O3
- Average molar mass
- 497.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-(5-(1-(2-fluorophenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-3-yl)benzylamino)cyclopropanecarboxylic acid
- IUPAC
- 1-[[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL3761070GDQDUOOZCGFIAH-UHFFFAOYSA-N1-(4-(5-(1-(2-fluorophenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazol-3-yl)benzylamino)cyclopropanecarboxylic acid
Database identifiers
- PubChem CID
- 59604154
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 790
Related reactions
2 records
Compound notes
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