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2-(3-Aminopyridin-2-yl)-5-{(2-methoxy-6-methylpyridin-4-yl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenyl amino]methyl}-2,4-dihydro-[1,2,4]triazol-3-one

HCID 136337084
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Basic information

Standard SMILES
COc1cc(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3ncccc3N)c(=O)[nH]2)cc(C)n1
InChIKey
UNKYEJZVVVVAPJ-UHFFFAOYSA-N
Molecular formula
C24H23N9O3
Average molar mass
485.5 g/mol

Names & identifiers

Preferred name
2-(3-Aminopyridin-2-yl)-5-{(2-methoxy-6-methylpyridin-4-yl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenyl amino]methyl}-2,4-dihydro-[1,2,4]triazol-3-one
IUPAC
2-(3-amino-2-pyridinyl)-5-[(2-methoxy-6-methyl-4-pyridinyl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]methyl]-4H-1,2,4-triazol-3-one

Names & synonyms

SCHEMBL1620387UNKYEJZVVVVAPJ-UHFFFAOYSA-N2-(3-aminopyridin-2-yl)-5-{(2-methoxy-6-methylpyridin-4-yl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenyl amino]methyl}-2,4-dihydro-[1,2,4]triazol-3-one

Database identifiers

PubChem CID
136337084

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
157 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
36
Formal charge
0
Complexity
793

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Related reactions

2 records
New reaction record
HRID 1698648 reaction equation
HRID 1698648As productuspto-grants-2012_04
HRID 2079129 reaction equation
HRID 2079129As productuspto-grants-2011_04

Compound notes

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