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N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-1-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

HCID 44516532
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1ccc2c(Oc3ccc(NC(=O)c4cn(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
InChIKey
ISRQETGPAFAXMC-UHFFFAOYSA-N
Molecular formula
C26H21N5O4
Average molar mass
467.5 g/mol

Names & identifiers

Preferred name
N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-1-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
IUPAC
N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide

Names & synonyms

SCHEMBL198583ISRQETGPAFAXMC-UHFFFAOYSA-NN-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-1-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide

Database identifiers

PubChem CID
44516532

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
96.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
35
Formal charge
0
Complexity
801

Related reactions

7 records
New reaction record
HRID 415888 reaction equation
HRID 415888As productuspto-grants-2012_01
HRID 415933 reaction equation
HRID 415933As productuspto-grants-2012_01
HRID 812821 reaction equation
HRID 812821As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 2266345 reaction equation
HRID 2266345As productuspto-grants-2010_12
HRID 2266390 reaction equation
HRID 2266390As productuspto-grants-2010_12
HRID 2359673 reaction equation
HRID 2359673As productuspto-grants-2014_04
HRID 2359720 reaction equation
HRID 2359720As productuspto-grants-2014_04

Compound notes

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