6-Chloro-N4-{3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl}pyrimidine-2,4-diamine
Basic information
- Standard SMILES
Cc1c[nH]c2nccc(Oc3ccc(Nc4cc(Cl)nc(N)n4)cc3F)c12- InChIKey
FTXXVTOEOSFKCD-UHFFFAOYSA-N- Molecular formula
- C18H14ClFN6O
- Average molar mass
- 384.8 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-N4-{3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl}pyrimidine-2,4-diamine
- IUPAC
- 6-chloro-4-N-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]pyrimidine-2,4-diamine
Names & synonyms
CHEMBL5428272SCHEMBL4772169FTXXVTOEOSFKCD-UHFFFAOYSA-N6-Chloro-N4-{3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl}pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 11660984
- ChEMBL
CHEMBL5428272
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 504
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Related reactions
4 records
Compound notes
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