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Basic information
- Standard SMILES
COc1ccc2c(CN3CCCCC3=O)nc(Nc3cc(C)[nH]n3)cc2c1- InChIKey
UGPQGPDDBUIBFK-UHFFFAOYSA-N- Molecular formula
- C20H23N5O2
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- 1-[6-Methoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-1-ylmethyl]-piperidin-2-one
- IUPAC
- 1-[[6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-1-yl]methyl]piperidin-2-one
Names & synonyms
SCHEMBL3965333UGPQGPDDBUIBFK-UHFFFAOYSA-N1-[6-Methoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-1-ylmethyl]-piperidin-2-one
Database identifiers
- PubChem CID
- 57799768
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 519
Related reactions
1 records
Compound notes
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