Basic information
- Standard SMILES
COC(=O)N1CCC(N2CCC(n3c(=O)n(S(C)(=O)=O)c4ncccc43)CC2)CC1- InChIKey
XGEIVRANTROKON-UHFFFAOYSA-N- Molecular formula
- C19H27N5O5S
- Average molar mass
- 437.5 g/mol
Names & identifiers
- Preferred name
- 1-[1-(1-methoxycarbonylpiperidin-4-yl)-piperidin-4-yl]-3-(methylsulfonyl)-1,3-dihydro-2H-imidazo-[4,5-b]pyridin-2-one
- IUPAC
- methyl 4-[4-(3-methylsulfonyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6580242XGEIVRANTROKON-UHFFFAOYSA-N1-[1-(1-methoxycarbonylpiperidin-4-yl)-piperidin-4-yl]-3-(methylsulfonyl)-1,3-dihydro-2H-imidazo-[4,5-b]pyridin-2-one
Database identifiers
- PubChem CID
- 9954760
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 756
Related reactions
2 records
Compound notes
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