Basic information
- Standard SMILES
CN1CCN(c2ccc(-c3cc4c(C(=O)O)n[nH]c4cc3Cl)cc2)CC1- InChIKey
KRDRUKZWPAOPCF-UHFFFAOYSA-N- Molecular formula
- C19H19ClN4O2
- Average molar mass
- 370.8 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-indazole-3-carboxylic acid
- IUPAC
- 6-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxylic acid
Names & synonyms
CHEMBL3954929SCHEMBL15301021KRDRUKZWPAOPCF-UHFFFAOYSA-NBDBM238020DB-197188US9394285, 1066-Chloro-5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-indazole-3-carboxylic acid6-Chloro-5-[4-(4-methyl-1-piperazinyl)phenyl]-1h-indazole-3-carboxylic acid1467059-04-6
Database identifiers
- PubChem CID
- 86698804
- ChEMBL
CHEMBL3954929
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 506
Related reactions
2 records
Compound notes
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