N-(3-{3-[2-({4-Chloro-3-[(2-chloroethyl)oxy]phenyl}amino)-4-pyrimidinyl]pyrazolo[1,5-a]pyridin-2-yl}phenyl)-2,2,2-trifluoroacetamide

HCID 57737180
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Basic information

Standard SMILES
O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc(Cl)c(OCCCl)c3)n2)c1)C(F)(F)F
InChIKey
UJEFCZSWDGTWAN-UHFFFAOYSA-N
Molecular formula
C27H19Cl2F3N6O2
Average molar mass
587.4 g/mol
Monoisotopic mass
586.0898637

Names & identifiers

Preferred name
N-(3-{3-[2-({4-Chloro-3-[(2-chloroethyl)oxy]phenyl}amino)-4-pyrimidinyl]pyrazolo[1,5-a]pyridin-2-yl}phenyl)-2,2,2-trifluoroacetamide
IUPAC
N-[3-[3-[2-[4-chloro-3-(2-chloroethoxy)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide

Names & synonyms

N-(3-{3-[2-({4-Chloro-3-[(2-chloroethyl)oxy]phenyl}amino)-4-pyrimidinyl]pyrazolo[1,5-a]pyridin-2-yl}phenyl)-2,2,2-trifluoroacetamideSCHEMBL3538651

Database identifiers

PubChem CID
57737180

Properties

Computed structural properties

XLogP
6
Topological polar surface area
93.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
40

Related reactions

3 records
New reaction record

Compound notes

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