Basic information
- Standard SMILES
Cc1cc(Nc2cc3ccccc3c(OCCN3CCCCC3)n2)n[nH]1- InChIKey
TYMVFIMTERSIBD-UHFFFAOYSA-N- Molecular formula
- C20H25N5O
- Average molar mass
- 351.4 g/mol
Names & identifiers
- Preferred name
- (5-methyl-1H-pyrazol-3-yl)-[1-(2-piperidin-1-yl-ethoxy)-isoquinolin-3-yl]-amine
- IUPAC
- N-(5-methyl-1H-pyrazol-3-yl)-1-(2-piperidin-1-ylethoxy)isoquinolin-3-amine
Names & synonyms
SCHEMBL3970136TYMVFIMTERSIBD-UHFFFAOYSA-N(5-methyl-1H-pyrazol-3-yl)-[1-(2-piperidin-1-yl-ethoxy)-isoquinolin-3-yl]-amine
Database identifiers
- PubChem CID
- 57799562
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 430
Related reactions
2 records
Linked notes
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