Basic information
- Standard SMILES
Cc1cc(Nc2cc3cc(C(=O)O)ccc3c(OC(C)C)n2)n[nH]1- InChIKey
WXAOAOYXPHOGAO-UHFFFAOYSA-N- Molecular formula
- C17H18N4O3
- Average molar mass
- 326.35 g/mol
Names & identifiers
- Preferred name
- 1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid
- IUPAC
- 3-[(5-methyl-1H-pyrazol-3-yl)amino]-1-propan-2-yloxyisoquinoline-6-carboxylic acid
Names & synonyms
SCHEMBL3966876WXAOAOYXPHOGAO-UHFFFAOYSA-N1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid
Database identifiers
- PubChem CID
- 57799470
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Related reactions
30 records
Compound notes
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