Basic information
- Standard SMILES
Cc1cc(Nc2cc3cc(C(=O)N(C)CC4CCCCO4)ccc3c(OC(C)C)n2)n[nH]1- InChIKey
KVBBZYKKNBXSFK-UHFFFAOYSA-N- Molecular formula
- C24H31N5O3
- Average molar mass
- 437.5 g/mol
Names & identifiers
- Preferred name
- 1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid methyl-(tetrahydro-pyran-2-ylmethyl)-amide
- IUPAC
- N-methyl-3-[(5-methyl-1H-pyrazol-3-yl)amino]-N-(oxan-2-ylmethyl)-1-propan-2-yloxyisoquinoline-6-carboxamide
Names & synonyms
SCHEMBL3967471KVBBZYKKNBXSFK-UHFFFAOYSA-N1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinoline-6-carboxylic acid methyl-(tetrahydro-pyran-2-ylmethyl)-amide
Database identifiers
- PubChem CID
- 57799889
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 620
Related reactions
2 records
Compound notes
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