2-[4-(2-Isopropyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline

HCID 11640371
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Basic information

Standard SMILES
CC(C)n1ncc(-c2ccncc2)c1-c1ccc(OCc2ccc3ccccc3n2)cc1
InChIKey
JMZRPMAVNSJTHX-UHFFFAOYSA-N
Molecular formula
C27H24N4O
Average molar mass
420.5 g/mol

Names & identifiers

Preferred name
2-[4-(2-Isopropyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
IUPAC
2-[[4-(1-propan-2-yl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline

Names & synonyms

SCHEMBL3271779SCHEMBL30123006JMZRPMAVNSJTHX-UHFFFAOYSA-N2-[4-(2-Isopropyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline

Database identifiers

PubChem CID
11640371

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
52.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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