Basic information
- Standard SMILES
Cc1cc(Nc2cc3cc(C(=O)NC(C)C)ccc3c(OC(C)C)n2)n[nH]1- InChIKey
UCZGDEJCWPJGDI-UHFFFAOYSA-N- Molecular formula
- C20H25N5O2
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- 1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid isopropylamide
- IUPAC
- 3-[(5-methyl-1H-pyrazol-3-yl)amino]-N-propan-2-yl-1-propan-2-yloxyisoquinoline-6-carboxamide
Names & synonyms
SCHEMBL3973249UCZGDEJCWPJGDI-UHFFFAOYSA-N1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid isopropylamide
Database identifiers
- PubChem CID
- 57799661
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Related reactions
2 records
Compound notes
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