Basic information
- Standard SMILES
CN1CCC(N2C(=O)c3cc4nc(-c5c(Cl)cc[nH]c5=O)[nH]c4cc3C2=O)CC1- InChIKey
ZAPMEIQSIMYAEK-UHFFFAOYSA-N- Molecular formula
- C20H18ClN5O3
- Average molar mass
- 411.8 g/mol
- Monoisotopic mass
- 411.1098171
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-oxo-1,2-dihydropyridin-3-yl)-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)-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
Names & synonyms
SCHEMBL438635ZAPMEIQSIMYAEK-UHFFFAOYSA-N2-(4-chloro-2-oxo-1,2-dihydro-pyridin-3-yl)-6-(1-methyl-piperidin-4-yl)-1H-1,3,6-triaza-s-indacene-5,7-dione2-(4-Chloro-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-imidazo[4,5-f]isoindole-5,7(1H,6H)-dione2-(4-chloro-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)imidazo[4,5-f]isoindole-5,7(1H,6H)-dione
Database identifiers
- PubChem CID
- 136200220
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 819
Related reactions
9 records
Compound notes
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