N-{3-[3-(2-{[3-(Aminomethyl)phenyl]amino}-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}-2-(2-thienyl)acetamide

HCID 57737182
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Basic information

Standard SMILES
NCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)c1
InChIKey
BBOCXOBWELPXIF-UHFFFAOYSA-N
Molecular formula
C30H25N7OS
Average molar mass
531.6 g/mol
Monoisotopic mass
531.18412962

Names & identifiers

Preferred name
N-{3-[3-(2-{[3-(Aminomethyl)phenyl]amino}-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}-2-(2-thienyl)acetamide
IUPAC
N-[3-[3-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide

Names & synonyms

SCHEMBL3540387BBOCXOBWELPXIF-UHFFFAOYSA-NN-{3-[3-(2-{[3-(Aminomethyl)phenyl]amino}-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}-2-(2-thienyl)acetamide

Database identifiers

PubChem CID
57737182

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
138 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
39

Related reactions

2 records
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Compound notes

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