Basic information
- Standard SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccncc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC- InChIKey
PINXYVGXMYFCOO-UHFFFAOYSA-N- Molecular formula
- C33H38Cl2N4O5
- Average molar mass
- 641.6 g/mol
Names & identifiers
- Preferred name
- 1-[2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-4-yl)-piperidine-4-carboxylic acid amide
- IUPAC
- 1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-pyridin-4-ylpiperidine-4-carboxamide
Names & synonyms
CHEMBL315923SCHEMBL8352868PINXYVGXMYFCOO-UHFFFAOYSA-NBDBM502903051-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-4-y1)-piperidine-4-carboxylic acid amide1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(pyridin-4-yl)-piperidine-4-carboxylic acid amide1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-2,3,5,6-tetrahydro-1H-[4,4'']bipyridinyl-4-carboxylic acid amide
Database identifiers
- PubChem CID
- 44319306
- ChEMBL
CHEMBL315923
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 964
Related reactions
7 records
Compound notes
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