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Basic information
- Standard SMILES
C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)n2)c1- InChIKey
ZQIMISSUUAZNSZ-UHFFFAOYSA-N- Molecular formula
- C25H21N9O
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.18690633
Names & identifiers
- Preferred name
- N-{3-[4-(1-pyridin-2-ylmethyl-1H-indazol-5-ylamino)-[1,3,5]triazin-2-ylamino]-phenyl}-acrylamide
- IUPAC
- N-[3-[[4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]phenyl]prop-2-enamide
Names & synonyms
SCHEMBL6483241ZQIMISSUUAZNSZ-UHFFFAOYSA-NN-{3-[4-(1-pyridin-2-ylmethyl-1H-indazol-5-ylamino)-[1,3,5]triazin-2-ylamino]-phenyl}-acrylamide
Database identifiers
- PubChem CID
- 20775675
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 708
Related reactions
2 records
Compound notes
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