Basic information
- Standard SMILES
COc1ccc2c(-c3cn[nH]c3)nc(Nc3cc[nH]n3)cc2c1- InChIKey
XOOWXFWKPBTCPW-UHFFFAOYSA-N- Molecular formula
- C16H14N6O
- Average molar mass
- 306.32 g/mol
- Monoisotopic mass
- 306.12290909
Names & identifiers
- Preferred name
- [6-methoxy-1-(1H-pyrazol-4-yl)-isoquinolin-3-yl]-(1H-pyrazol-3-yl)-amine
- IUPAC
- 6-methoxy-1-(1H-pyrazol-4-yl)-N-(1H-pyrazol-5-yl)isoquinolin-3-amine
Names & synonyms
SCHEMBL3961639XOOWXFWKPBTCPW-UHFFFAOYSA-N[6-methoxy-1-(1H-pyrazol-4-yl)-isoquinolin-3-yl]-(1H-pyrazol-3-yl)-amine
Database identifiers
- PubChem CID
- 57799700
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Related reactions
2 records
Compound notes
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