3-(3-methoxy-4-((4-(perfluoroethyl)benzyl)oxy)benzyl)-6-(1-methyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-2-amine

HCID 118009825

Notes Reactions

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Basic information

Standard SMILES: COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)C(F)(F)F)cc1
InChIKey: DGQKIQCSFPDDDR-UHFFFAOYSA-N
Molecular formula: C27H23F5N6O2
Average molar mass: 558.5 g/mol
Monoisotopic mass: 558.18026481

Names & identifiers

Preferred name: 3-(3-methoxy-4-((4-(perfluoroethyl)benzyl)oxy)benzyl)-6-(1-methyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-2-amine
IUPAC: 3-[[3-methoxy-4-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine

Names & synonyms

3-(3-methoxy-4-((4-(perfluoroethyl)benzyl)oxy)benzyl)-6-(1-methyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-2-amineCHEMBL3673489SCHEMBL16763035SCHEMBL29774365BDBM164940US9067914, Ex. 3-39

Database identifiers

PubChem CID: 118009825
ChEMBL: CHEMBL3673489

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 93 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 11
Rotatable bonds: 8
Heavy atoms: 40
Formal charge: 0
Complexity: 832

Related reactions

2 records

New reaction record

HRID 706495As productuspto-grants-2015_11

HRID 2178376As productuspto-grants-2015_06

Compound notes

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