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

HCID 57737236
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Basic information

Standard SMILES
CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5ccsc5)c4)nn4ccccc34)n2)c1
InChIKey
UJNQTVVMISMHOG-UHFFFAOYSA-N
Molecular formula
C33H31N7O2S
Average molar mass
589.7 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL3538070UJNQTVVMISMHOG-UHFFFAOYSA-NN-[3-(3-{2-[(3-{[2-(dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}pyrazolo[1,5-a]pyridin-2-yl)phenyl]-2-(3-thienyl)acetamide

Database identifiers

PubChem CID
57737236

Properties

Computed structural properties

XLogP
5
Topological polar surface area
125 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
43

Related reactions

2 records
New reaction record

Compound notes

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