Basic information
- Standard SMILES
Br.C[C@@H]1CCCN1CCCOc1ccc(-n2cc(C(=O)N3CCOCC3)cn2)cc1- InChIKey
ATMKBJOUPSVAEE-GMUIIQOCSA-N- Molecular formula
- C22H31BrN4O3
- Average molar mass
- 479.4 g/mol
Names & identifiers
- Preferred name
- 4-{[1-(4-{3-[(2R)-2-methylpyrrolidin-1-yl]propoxy}phenyl)-1H-pyrazol-4-yl]carbonyl}morpholine monohydrobromide
- IUPAC
- [1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone;hydrobromide
Names & synonyms
SCHEMBL1180478ATMKBJOUPSVAEE-GMUIIQOCSA-N4-{[1-(4-{3-[(2R)-2-methylpyrrolidin-1-yl]propoxy}phenyl)-1H-pyrazol-4-yl]carbonyl}morpholine monohydrobromide
Database identifiers
- PubChem CID
- 66933852
Properties
Computed structural properties
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 520
Related reactions
3 records
Compound notes
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