N-[4-chloro-2-fluoro-5-({2-[(methoxyacetyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)phenyl]-3-(1-cyano-1-methylethyl)benzamide

HCID 59506972
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Basic information

Standard SMILES
COCC(=O)Nc1nc2ccc(Oc3cc(NC(=O)c4cccc(C(C)(C)C#N)c4)c(F)cc3Cl)nc2s1
InChIKey
JJHWDLHXUUGVGI-UHFFFAOYSA-N
Molecular formula
C26H21ClFN5O4S
Average molar mass
554 g/mol
Monoisotopic mass
553.0986812

Names & identifiers

Preferred name
N-[4-chloro-2-fluoro-5-({2-[(methoxyacetyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)phenyl]-3-(1-cyano-1-methylethyl)benzamide
IUPAC
N-[4-chloro-2-fluoro-5-[[2-[(2-methoxyacetyl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]phenyl]-3-(2-cyanopropan-2-yl)benzamide

Names & synonyms

SCHEMBL2855383JJHWDLHXUUGVGI-UHFFFAOYSA-NN-[4-chloro-2-fluoro-5-({2-[(methoxyacetyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)phenyl]-3-(1-cyano-1-methylethyl)benzamide

Database identifiers

PubChem CID
59506972

Properties

Computed structural properties

XLogP
5
Topological polar surface area
154 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
38

Related reactions

2 records
New reaction record

Linked notes

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