Basic information
- Standard SMILES
CN1C(=O)CCC1CNCc1cccc(Nc2sc(-c3ccc(C(C)(C)O)cc3F)cc2C(N)=O)n1- InChIKey
XRXXRIPQYHWBPU-UHFFFAOYSA-N- Molecular formula
- C26H30FN5O3S
- Average molar mass
- 511.6 g/mol
- Monoisotopic mass
- 511.20533917
Names & identifiers
- Preferred name
- 5-[2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-({[(1-methyl-5-oxopyrrolidin-2-yl)methyl]amino}methyl)pyridin-2-yl]amino}thiophene-3-carboxamide
- IUPAC
- 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methyl-5-oxopyrrolidin-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
Names & synonyms
SCHEMBL3512687XRXXRIPQYHWBPU-UHFFFAOYSA-N5-[2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-({[(1-methyl-5-oxopyrrolidin-2-yl)methyl]amino}methyl)pyridin-2-yl]amino}thiophene-3-carboxamide
Database identifiers
- PubChem CID
- 59525952
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 789
Related reactions
2 records
Compound notes
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