Basic information
- Standard SMILES
COc1ccc2c(-c3c(C(C)C)ccc4[nH]ncc34)nc(C)c(C=O)c2c1- InChIKey
WROWKWBZHKQSBD-UHFFFAOYSA-N- Molecular formula
- C22H21N3O2
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.16337692
Names & identifiers
- Preferred name
- 1-(5-isopropyl-1H-indazol-4-yl)-6-methoxy-3-methyl-isoquinoline-4-carbaldehyde
- IUPAC
- 6-methoxy-3-methyl-1-(5-propan-2-yl-1H-indazol-4-yl)isoquinoline-4-carbaldehyde
Names & synonyms
SCHEMBL1470391WROWKWBZHKQSBD-UHFFFAOYSA-NDB-0882141-(5-isopropyl-1H-indazol-4-yl)-6-methoxy-3-methyl-isoquinoline-4-carbaldehyde869898-02-2
Database identifiers
- PubChem CID
- 86615934
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 528
Related reactions
4 records
Compound notes
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