(1R*,2S*)-2-(1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-one
Basic information
- Standard SMILES
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2cn[nH]c2c1- InChIKey
RJUIETDWZAGQNR-GUYCJALGSA-N- Molecular formula
- C17H13N3O
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.10586205
Names & identifiers
- Preferred name
- (1R*,2S*)-2-(1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-one
- IUPAC
- (2'S,3R)-2'-(1H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Names & synonyms
CHEMBL3353338SCHEMBL586573RJUIETDWZAGQNR-GUYCJALGSA-NBDBM50044663(1R*,2S*)-2-(1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-one(1R,2S)-2-(1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-one
Database identifiers
- PubChem CID
- 58486367
- ChEMBL
CHEMBL3353338
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 467
Related reactions
8 records
Compound notes
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