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Basic information
- Standard SMILES
COc1ccc2c(Cn3ccnc3)nc(Nc3cc(C)[nH]n3)cc2c1- InChIKey
HXAYZQAZWWXYJB-UHFFFAOYSA-N- Molecular formula
- C18H18N6O
- Average molar mass
- 334.4 g/mol
Names & identifiers
- Preferred name
- (1-Imidazol-1-ylmethyl-6-methoxy-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine
- IUPAC
- 1-(imidazol-1-ylmethyl)-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine
Names & synonyms
SCHEMBL3968726HXAYZQAZWWXYJB-UHFFFAOYSA-N(1-Imidazol-1-ylmethyl-6-methoxy-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine
Database identifiers
- PubChem CID
- 57799668
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 438
Related reactions
1 records
Compound notes
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