[1-Isopropoxy-6-methoxy-7-(2-piperidin-1-yl-ethoxy)-isoquinolin-3-yl]-(5-methyl-1H-pyrazol-3-yl)-amine

HCID 57799599
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Basic information

Standard SMILES
COc1cc2cc(Nc3cc(C)[nH]n3)nc(OC(C)C)c2cc1OCCN1CCCCC1
InChIKey
VEOMFNYQPFTMRM-UHFFFAOYSA-N
Molecular formula
C24H33N5O3
Average molar mass
439.6 g/mol
Monoisotopic mass
439.25833993

Names & identifiers

Preferred name
[1-Isopropoxy-6-methoxy-7-(2-piperidin-1-yl-ethoxy)-isoquinolin-3-yl]-(5-methyl-1H-pyrazol-3-yl)-amine
IUPAC
6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-7-(2-piperidin-1-ylethoxy)-1-propan-2-yloxyisoquinolin-3-amine

Names & synonyms

SCHEMBL3967562VEOMFNYQPFTMRM-UHFFFAOYSA-N[1-Isopropoxy-6-methoxy-7-(2-piperidin-1-yl-ethoxy)-isoquinolin-3-yl]-(5-methyl-1H-pyrazol-3-yl)-amine

Database identifiers

PubChem CID
57799599

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
84.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
32

Related reactions

2 records
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Linked notes

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