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Basic information
- Standard SMILES
CN(C)CCNCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)c1- InChIKey
FQDVFRHABRCQRT-UHFFFAOYSA-N- Molecular formula
- C34H34N8OS
- Average molar mass
- 602.8 g/mol
- Monoisotopic mass
- 602.25762891
Names & identifiers
- Preferred name
- N-{3-[3-(2-{[3-({[2-(Dimethylamino)ethyl]amino}methyl)phenyl]amino}-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}-2-(2-thienyl)acetamide
- IUPAC
- N-[3-[3-[2-[3-[[2-(dimethylamino)ethylamino]methyl]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
Names & synonyms
SCHEMBL3539418FQDVFRHABRCQRT-UHFFFAOYSA-NN-{3-[3-(2-{[3-({[2-(Dimethylamino)ethyl]amino}methyl)phenyl]amino}-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}-2-(2-thienyl)acetamide
Database identifiers
- PubChem CID
- 57737176
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 895
Related reactions
1 records
Compound notes
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