N-[3-(3-{2-[(3-Chloro-4-{[2-(methyloxy)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2,6-difluorobenzamide

HCID 44529396

Basic information

Standard SMILES
COCCOc1ccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nn4ccccc34)n2)cc1Cl
InChIKey
MTSQFRNLEZFOKG-UHFFFAOYSA-N
Molecular formula
C33H25ClF2N6O3
Average molar mass
627 g/mol
Monoisotopic mass
626.1644727

Names & identifiers

Preferred name
N-[3-(3-{2-[(3-Chloro-4-{[2-(methyloxy)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2,6-difluorobenzamide
IUPAC
N-[3-[3-[2-[3-chloro-4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide

Names & synonyms

TCMDC-135955CHEMBL579795SCHEMBL3442066MTSQFRNLEZFOKG-UHFFFAOYSA-NN-[3-(3-{2-[(3-Chloro-4-{[2-(methyloxy)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2,6-difluorobenzamide

Database identifiers

PubChem CID
44529396
ChEMBL
CHEMBL579795

Properties

Computed structural properties

XLogP
6
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
45

Related reactions

3 records

Compound notes

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