Basic information
- Standard SMILES
Cc1cc(Nc2cc3cc(C(=O)OC(C)C)ccc3c(OC(C)C)n2)n[nH]1- InChIKey
XYIHAEPQMRJJIW-UHFFFAOYSA-N- Molecular formula
- C20H24N4O3
- Average molar mass
- 368.4 g/mol
Names & identifiers
- Preferred name
- Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid isopropyl ester
- IUPAC
- propan-2-yl 3-[(5-methyl-1H-pyrazol-3-yl)amino]-1-propan-2-yloxyisoquinoline-6-carboxylate
Names & synonyms
SCHEMBL3966825XYIHAEPQMRJJIW-UHFFFAOYSA-NIsopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid isopropyl ester
Database identifiers
- PubChem CID
- 57799547
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 502
Related reactions
2 records
Compound notes
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