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N-[3-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)phenyl]-1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

HCID 57749341
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cn1ncc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)c1C(F)(F)F
InChIKey
LAZLDBXIEJXKKK-UHFFFAOYSA-N
Molecular formula
C22H18F3N7O3
Average molar mass
485.4 g/mol

Names & identifiers

Preferred name
N-[3-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)phenyl]-1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
IUPAC
N-[3-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide

Names & synonyms

N-[3-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)phenyl]-1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamideSCHEMBL4282415

Database identifiers

PubChem CID
57749341

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
35
Formal charge
0
Complexity
799

Related reactions

2 records
New reaction record
HRID 1874421 reaction equation
HRID 1874421As productuspto-grants-2012_11
HRID 2333523 reaction equation
HRID 2333523As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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