Basic information
- Standard SMILES
COc1cc2c(cc1OC)-c1c(c(Nc3cccc(F)c3)nn1C(=O)OC(C)C)C2- InChIKey
ZERPIZFRYQRHPG-UHFFFAOYSA-N- Molecular formula
- C22H22FN3O4
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.15943435
Names & identifiers
- Preferred name
- 3-(3-Fluoro-phenylamino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazole-1-carboxylic acid isopropyl ester
- IUPAC
- propan-2-yl 3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-1-carboxylate
Names & synonyms
SCHEMBL3090379ZERPIZFRYQRHPG-UHFFFAOYSA-N3-(3-Fluoro-phenylamino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazole-1-carboxylic acid isopropyl ester
Database identifiers
- PubChem CID
- 58824975
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 609
Related reactions
3 records
Compound notes
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