Basic information
- Standard SMILES
Cc1cc(Nc2cc3cc(C(=O)N4CCC(O)CC4)ccc3c(OC(C)C)n2)n[nH]1- InChIKey
CVCHTYWTBPCJNP-UHFFFAOYSA-N- Molecular formula
- C22H27N5O3
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- (4-Hydroxy-piperidin-1-yl)-[1-isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-6-yl]-methanone
- IUPAC
- (4-hydroxypiperidin-1-yl)-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-1-propan-2-yloxyisoquinolin-6-yl]methanone
Names & synonyms
SCHEMBL3973305CVCHTYWTBPCJNP-UHFFFAOYSA-N(4-Hydroxy-piperidin-1-yl)-[1-isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-6-yl]-methanone
Database identifiers
- PubChem CID
- 57799805
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 583
Related reactions
2 records
Compound notes
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