4-[2-(3-aminophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-{[2-(dimethylamino)ethyl]oxy}phenyl)-2-pyrimidinamine

HCID 57737166
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Basic information

Standard SMILES
CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(N)c4)nn4ccccc34)n2)c1
InChIKey
PQPCPJRNJAINNL-UHFFFAOYSA-N
Molecular formula
C27H27N7O
Average molar mass
465.5 g/mol

Names & identifiers

Preferred name
4-[2-(3-aminophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-{[2-(dimethylamino)ethyl]oxy}phenyl)-2-pyrimidinamine
IUPAC
4-[2-(3-aminophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrimidin-2-amine

Names & synonyms

SCHEMBL3537238PQPCPJRNJAINNL-UHFFFAOYSA-N4-[2-(3-aminophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-{[2-(dimethylamino)ethyl]oxy}phenyl)-2-pyrimidinamine

Database identifiers

PubChem CID
57737166

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
93.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
35

Related reactions

4 records
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Compound notes

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