2,6-Difluoro-N-{3-[3-(2-{[4-(methyloxy)-3-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}benzamide

HCID 11664612
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nn4ccccc34)n2)cc1N1CCN(C)CC1
InChIKey
XLKXDARUICQRFN-UHFFFAOYSA-N
Molecular formula
C36H32F2N8O2
Average molar mass
646.7 g/mol
Monoisotopic mass
646.26162862

Names & identifiers

Preferred name
2,6-Difluoro-N-{3-[3-(2-{[4-(methyloxy)-3-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}benzamide
IUPAC
2,6-difluoro-N-[3-[3-[2-[4-methoxy-3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide

Names & synonyms

SCHEMBL3441963XLKXDARUICQRFN-UHFFFAOYSA-N2,6-Difluoro-N-{3-[3-(2-{[4-(methyloxy)-3-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}benzamide

Database identifiers

PubChem CID
11664612

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
99.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
48

Related reactions

2 records
New reaction record

Compound notes

Loading…