Basic information
- Standard SMILES
CCN(CC)C(=O)c1ccc2c(OC(C)C)nc(Nc3cc(C)[nH]n3)cc2c1- InChIKey
FMYYPQLKCKROLK-UHFFFAOYSA-N- Molecular formula
- C21H27N5O2
- Average molar mass
- 381.5 g/mol
Names & identifiers
- Preferred name
- 1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid diethylamide
- IUPAC
- N,N-diethyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-1-propan-2-yloxyisoquinoline-6-carboxamide
Names & synonyms
SCHEMBL3965029FMYYPQLKCKROLK-UHFFFAOYSA-N1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid diethylamide
Database identifiers
- PubChem CID
- 57799794
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 513
Related reactions
2 records
Compound notes
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