methyl 3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-3-hydroxy-2,2-dimethylpropanoate

HCID 67005676
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Basic information

Standard SMILES
COC(=O)C(C)(C)C(O)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIKey
AYOHEVDKIVRPNK-UHFFFAOYSA-N
Molecular formula
C19H19FN2O3
Average molar mass
342.4 g/mol

Names & identifiers

Preferred name
methyl 3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-3-hydroxy-2,2-dimethylpropanoate
IUPAC
methyl 3-[1-(4-fluorophenyl)indazol-5-yl]-3-hydroxy-2,2-dimethylpropanoate

Names & synonyms

SCHEMBL1362497AYOHEVDKIVRPNK-UHFFFAOYSA-Nmethyl 3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-3-hydroxy-2,2-dimethylpropanoate

Database identifiers

PubChem CID
67005676

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
64.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
25

Related reactions

3 records
New reaction record

Compound notes

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