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Basic information
- Standard SMILES
Cc1c2c(cc3[nH]c(-c4c(Cl)cc[nH]c4=O)nc13)C(=O)N(C1CCN(C)CC1)C2=O- InChIKey
VIVOBANCZSATGA-UHFFFAOYSA-N- Molecular formula
- C21H20ClN5O3
- Average molar mass
- 425.9 g/mol
- Monoisotopic mass
- 425.1254672
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-6-(1-methylpiperidin-4-yl)imidazo[4,5-f]isoindole-5,7(1H,6H)-dione
- IUPAC
- 2-(4-chloro-2-oxo-1H-pyridin-3-yl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
Names & synonyms
SCHEMBL439782VIVOBANCZSATGA-UHFFFAOYSA-N2-(4-Chloro-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-6-(1-methylpiperidin-4-yl)imidazo[4,5-f]isoindole-5,7(1H,6H)-dione
Database identifiers
- PubChem CID
- 136200324
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 850
Related reactions
6 records
Compound notes
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