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Basic information
- Standard SMILES
Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3-c3cc(O)cc(C(=O)N(C)C)c3)n(-c3ccccc3)c(=O)c12- InChIKey
MIBRUEYHUYXQRC-KRWDZBQOSA-N- Molecular formula
- C28H28N8O3
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.22843678
Names & identifiers
- Preferred name
- (S)-3-(4-Amino-6-((1-(5-methyl-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl)amino)pyrimidin-5-yl)-5-hydroxy-N,N-dimethyl benzamide
- IUPAC
- 3-[4-amino-6-[[(1S)-1-(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidin-5-yl]-5-hydroxy-N,N-dimethylbenzamide
Names & synonyms
CHEMBL3905026SCHEMBL15648313MIBRUEYHUYXQRC-KRWDZBQOSA-N(S)-3-(4-Amino-6-((1-(5-methyl-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl)amino)pyrimidin-5-yl)-5-hydroxy-N,N-dimethyl benzamide
Database identifiers
- PubChem CID
- 90102003
- ChEMBL
CHEMBL3905026
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 924
Related reactions
1 records
Compound notes
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