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

HCID 57749348
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)c(C(F)(F)F)o1
InChIKey
FHMZYXAXBRDOJH-UHFFFAOYSA-N
Molecular formula
C23H18F3N5O4
Average molar mass
485.4 g/mol
Monoisotopic mass
485.13108856

Names & identifiers

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

Names & synonyms

N-[3-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)phenyl]-5-methyl-2-(trifluoromethyl)-3-furamideSCHEMBL4288160

Database identifiers

PubChem CID
57749348

Properties

Computed structural propertiesFilling in

XLogP
3.5
Topological polar surface area
111 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
35
Formal charge
0
Complexity
798

Related reactions

2 records
New reaction record
HRID 800733 reaction equation
HRID 800733As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1874426 reaction equation
HRID 1874426As productuspto-grants-2012_11

Compound notes

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