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Basic information
- Standard SMILES
COc1ccc2c(COS(C)(=O)=O)nc(Nc3cc(C)n(S(C)(=O)=O)n3)cc2c1- InChIKey
PEGMFKLCRXUREU-UHFFFAOYSA-N- Molecular formula
- C17H20N4O6S2
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.08242672
Names & identifiers
- Preferred name
- Methanesulfonic acid 3-(1-methanesulfonyl-5-methyl-1H-pyrazol-3-ylamino)-6-methoxy-isoquinolin-1-ylmethyl ester
- IUPAC
- [6-methoxy-3-[(5-methyl-1-methylsulfonylpyrazol-3-yl)amino]isoquinolin-1-yl]methyl methanesulfonate
Names & synonyms
SCHEMBL3964041PEGMFKLCRXUREU-UHFFFAOYSA-NMethanesulfonic acid 3-(1-methanesulfonyl-5-methyl-1H-pyrazol-3-ylamino)-6-methoxy-isoquinolin-1-ylmethyl ester
Database identifiers
- PubChem CID
- 57799576
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 766
Related reactions
5 records
Compound notes
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