2-(4-Iodo-2-methoxy-pyridin-3-yl)-4-methyl-6-(1-methyl-piperidin-4-yl)-1H-1,3,6-triaza-s-indacene-5,7-dione
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Basic information
- Standard SMILES
COc1nccc(I)c1-c1nc2c(C)c3c(cc2[nH]1)C(=O)N(C1CCN(C)CC1)C3=O- InChIKey
BOQSKLZWEAJVGV-UHFFFAOYSA-N- Molecular formula
- C22H22IN5O3
- Average molar mass
- 531.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-Iodo-2-methoxy-pyridin-3-yl)-4-methyl-6-(1-methyl-piperidin-4-yl)-1H-1,3,6-triaza-s-indacene-5,7-dione
- IUPAC
- 2-(4-iodo-2-methoxy-3-pyridinyl)-8-methyl-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
Names & synonyms
SCHEMBL768194BOQSKLZWEAJVGV-UHFFFAOYSA-N2-(4-Iodo-2-methoxy-pyridin-3-yl)-4-methyl-6-(1-methyl-piperidin-4-yl)-1H-1,3,6-triaza-s-indacene-5,7-dione
Database identifiers
- PubChem CID
- 59762017
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 717
Related reactions
6 records
Compound notes
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