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1-{[6-({3-(aminocarbonyl)-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide

HCID 59526258
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Basic information

Standard SMILES
CNC(=O)c1cn(Cc2cccc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)n2)nn1
InChIKey
LZRMBVFCNCPAQW-UHFFFAOYSA-N
Molecular formula
C24H23F2N7O3S
Average molar mass
527.5 g/mol

Names & identifiers

Preferred name
1-{[6-({3-(aminocarbonyl)-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
IUPAC
1-[[6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-2-pyridinyl]methyl]-N-methyltriazole-4-carboxamide

Names & synonyms

SCHEMBL3507598LZRMBVFCNCPAQW-UHFFFAOYSA-N1-{[6-({3-(aminocarbonyl)-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridin-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide

Database identifiers

PubChem CID
59526258

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
176 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
37
Formal charge
0
Complexity
815

Related reactions

1 records
New reaction record
HRID 386043 reaction equation
HRID 386043As productuspto-grants-2013_02

Compound notes

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