2-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-3-carbonitrile

HCID 22736331
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1cccnc1-n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21
InChIKey
JUKCGYYOKMUVDE-UHFFFAOYSA-N
Molecular formula
C24H16N6O
Average molar mass
404.4 g/mol

Names & identifiers

Preferred name
2-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-3-carbonitrile
IUPAC
2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-3-carbonitrile

Names & synonyms

SCHEMBL6464190JUKCGYYOKMUVDE-UHFFFAOYSA-N2-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-3-carbonitrile

Database identifiers

PubChem CID
22736331

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

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2-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]pyridine-3-carbonitrile (HCID 22736331)｜Huagongshe