Basic information
- Standard SMILES
O=C1CCCN1CCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1- InChIKey
RAXRYHQFZWWSHA-UHFFFAOYSA-N- Molecular formula
- C21H20N6O2
- Average molar mass
- 388.4 g/mol
Names & identifiers
- Preferred name
- 1-{2-[3-(5-(1H-1,2,4-Triazol-5-YL)-1H-indazol-3-YL)phenoxy]ethyl}pyrrolidin-2-one
- IUPAC
- 1-[2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethyl]pyrrolidin-2-one
Names & synonyms
SCHEMBL5381833CHEMBL3894763RAXRYHQFZWWSHA-UHFFFAOYSA-N1-{2-[3-(5-(1H-1,2,4-Triazol-5-yl)-1H-indazol-3-yl)phenoxy ]ethyl}pyrrolidin-2-one1-{2-[3-(5-(1H-1,2,4-TRIAZOL-5-YL)-1H-INDAZOL-3-YL)PHENOXY]ETHYL}PYRROLIDIN-2-ONE
Database identifiers
- PubChem CID
- 22479883
- ChEMBL
CHEMBL3894763
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 577
Related reactions
3 records
Compound notes
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