Basic information
- Standard SMILES
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1- InChIKey
KNQQFNGEUDEPOZ-UHFFFAOYSA-N- Molecular formula
- C27H25Cl2N5O4
- Average molar mass
- 554.4 g/mol
- Monoisotopic mass
- 553.1283597
Names & identifiers
- Preferred name
- 5-(5-Chloro-1-methyl-2-oxo-1,2-dihydro-pyridin-3-yl)-6-(4-chloro-phenyl)-2-(2,4-dimethoxy-pyrimidin-5-yl)-1-isopropyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
- IUPAC
- 5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one
Names & synonyms
CHEMBL3964492SCHEMBL15535442KNQQFNGEUDEPOZ-UHFFFAOYSA-NBDBM236317US9365576, 705-(5-Chloro-1-methyl-2-oxo-1,2-dihydro-pyridin-3-yl)-6-(4-chloro-phenyl)-2-(2,4-dimethoxy-pyrimidin-5-yl)-1-isopropyl-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
Database identifiers
- PubChem CID
- 72205158
- ChEMBL
CHEMBL3964492
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 985
Related reactions
1 records
Compound notes
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