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
- Formal charge
- 0
- Complexity
- 948
Related reactions
3 records
Compound notes
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