6-Chloro-N4-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-2,4-diamine

HCID 58733366
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Basic information

Standard SMILES
Nc1nc(Cl)cc(Nc2cc(F)c(Oc3ccnc4[nH]ccc34)c(F)c2)n1
InChIKey
UJJNCYBMJVAYLH-UHFFFAOYSA-N
Molecular formula
C17H11ClF2N6O
Average molar mass
388.8 g/mol

Names & identifiers

Preferred name
6-Chloro-N4-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-2,4-diamine
IUPAC
6-chloro-4-N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-2,4-diamine

Names & synonyms

SCHEMBL2881172UJJNCYBMJVAYLH-UHFFFAOYSA-N6-Chloro-N4-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-2,4-diamine

Database identifiers

PubChem CID
58733366

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
102 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
27

Related reactions

2 records
New reaction record

Linked notes

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