Basic information
- Standard SMILES
Nc1ccc(Oc2ccnc(NC(=O)N3CCN(CCN4CCC4)CC3)c2)c(F)c1- InChIKey
LAKLYJAGCHSDFM-UHFFFAOYSA-N- Molecular formula
- C21H27FN6O2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.21795229
Names & identifiers
- Preferred name
- 4-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [4-(4-amino-2fluorophenoxy)pyridin-2-yl]amide
- IUPAC
- N-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-4-[2-(azetidin-1-yl)ethyl]piperazine-1-carboxamide
Names & synonyms
SCHEMBL13861569LAKLYJAGCHSDFM-UHFFFAOYSA-N4-[2-(Azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [4-(4-amino-2-fluorophenoxy)pyridin-2-yl]amide4-[2-(azetidin-1-yl)ethyl]piperazine-1-carboxylic acid [4-(4-amino-2fluorophenoxy)pyridin-2-yl]amide
Database identifiers
- PubChem CID
- 57677758
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 558
Related reactions
6 records
Compound notes
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