Basic information
- Standard SMILES
C[C@H](N)[C@H](Oc1ccc2c(cnn2-c2cccnc2)c1)c1ccccc1- InChIKey
GBJLACDPPAHOGB-BTYIYWSLSA-N- Molecular formula
- C21H20N4O
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- (alphaS,betaR)-beta-{[1-(3-Pyridyl)-1H-indazole-5-yl]oxy}-alpha-methylbenzeneethanamine
- IUPAC
- (1R,2S)-1-phenyl-1-(1-pyridin-3-ylindazol-5-yl)oxypropan-2-amine
Names & synonyms
SCHEMBL836942GBJLACDPPAHOGB-BTYIYWSLSA-N(alphaS,betaR)-beta-{[1-(3-Pyridyl)-1H-indazole-5-yl]oxy}-alpha-methylbenzeneethanamine
Database identifiers
- PubChem CID
- 66812930
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 442
Related reactions
2 records
Compound notes
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