Basic information
- Standard SMILES
CNc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1- InChIKey
QQLGWDCSGRNUFW-UHFFFAOYSA-N- Molecular formula
- C28H26ClN7O3
- Average molar mass
- 544 g/mol
Names & identifiers
- Preferred name
- 4-[5-(5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1-isopropyl-2-(4-methoxy-2-methylamino-pyrimidin-5-yl)-4-oxo-1,4,5,6-tetrahydro-pyrrolo[3,4-b]pyrrol-6-yl]-benzonitrile
- IUPAC
- 4-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[4-methoxy-2-(methylamino)pyrimidin-5-yl]-4-oxo-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-6-yl]benzonitrile
Names & synonyms
CHEMBL3958779SCHEMBL15591817QQLGWDCSGRNUFW-UHFFFAOYSA-NBDBM236380US9365576, 1334-[5-(5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1-isopropyl-2-(4-methoxy-2-methylamino-pyrimidin-5-yl)-4-oxo-1,4,5,6-tetrahydro-pyrrolo[3,4-b]pyrrol-6-yl]-benzonitrile
Database identifiers
- PubChem CID
- 86703201
- ChEMBL
CHEMBL3958779
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
1 records
Compound notes
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