Basic information
- Standard SMILES
Cc1cc(Nc2cc3cc(C(=O)N(C)CCCN4CCCCC4)ccc3c(OC(C)C)n2)n[nH]1- InChIKey
KONCJQIJSTXWTM-UHFFFAOYSA-N- Molecular formula
- C26H36N6O2
- Average molar mass
- 464.6 g/mol
Names & identifiers
- Preferred name
- 1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid methyl-(3-piperidin-1-yl-propyl)-amide
- IUPAC
- N-methyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-N-(3-piperidin-1-ylpropyl)-1-propan-2-yloxyisoquinoline-6-carboxamide
Names & synonyms
SCHEMBL3974533KONCJQIJSTXWTM-UHFFFAOYSA-N1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid methyl-(3-piperidin-1-yl-propyl)-amide
Database identifiers
- PubChem CID
- 57799685
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 643
Related reactions
2 records
Compound notes
Loading…