[1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-6-yl]-[4-(2-methoxy-ethyl)-piperazin-1-yl]-methanone

HCID 57799798

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COCCN1CCN(C(=O)c2ccc3c(OC(C)C)nc(Nc4cc(C)[nH]n4)cc3c2)CC1
InChIKey: NLUNOKFPNOWRQZ-UHFFFAOYSA-N
Molecular formula: C24H32N6O3
Average molar mass: 452.5 g/mol

Names & identifiers

Preferred name: [1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-6-yl]-[4-(2-methoxy-ethyl)-piperazin-1-yl]-methanone
IUPAC: [4-(2-methoxyethyl)piperazin-1-yl]-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-1-propan-2-yloxyisoquinolin-6-yl]methanone

Names & synonyms

SCHEMBL3965444NLUNOKFPNOWRQZ-UHFFFAOYSA-N[1-Isopropoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-6-yl]-[4-(2-methoxy-ethyl)-piperazin-1-yl]-methanone

Database identifiers

PubChem CID: 57799798

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 95.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 33
Formal charge: 0
Complexity: 629

Related reactions

2 records

New reaction record

HRID 171027As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 2101157As productuspto-grants-2009_08

Compound notes

Loading…