(S)-N-(4-(4-((1-(5-Methyl-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-yl)-1-(tetrahydro-2H-pyran-4-yl)methanesulfonamide
Basic information
- Standard SMILES
Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(-c5ccnc(NS(=O)(=O)CC6CCOCC6)c5)c34)n(-c3ccccc3)c(=O)c12- InChIKey
WORZAEATPYPAMS-NRFANRHFSA-N- Molecular formula
- C32H33N9O4S
- Average molar mass
- 639.7 g/mol
- Monoisotopic mass
- 639.23762174
Names & identifiers
- Preferred name
- (S)-N-(4-(4-((1-(5-Methyl-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-yl)-1-(tetrahydro-2H-pyran-4-yl)methanesulfonamide
- IUPAC
- N-[4-[4-[[(1S)-1-(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-pyridinyl]-1-(oxan-4-yl)methanesulfonamide
Names & synonyms
SCHEMBL15649142WORZAEATPYPAMS-NRFANRHFSA-N(S)-N-(4-(4-((1-(5-Methyl-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-yl)-1-(tetrahydro-2H-pyran-4-yl)methanesulfonamide
Database identifiers
- PubChem CID
- 90102604
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
1 records
Compound notes
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