7-(6-Dimethylamino-4-methylpyridin-3-yl)-2-methyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]pyridin-3-one
Basic information
- Standard SMILES
Cc1cc(N(C)C)ncc1N1CCCc2c1[nH]n(C)c2=O- InChIKey
KAPQSTYAISFTRD-UHFFFAOYSA-N- Molecular formula
- C15H21N5O
- Average molar mass
- 287.36 g/mol
- Monoisotopic mass
- 287.17461031
Names & identifiers
- Preferred name
- 7-(6-Dimethylamino-4-methylpyridin-3-yl)-2-methyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]pyridin-3-one
- IUPAC
- 7-[6-(dimethylamino)-4-methyl-3-pyridinyl]-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one
Names & synonyms
SCHEMBL5044811KAPQSTYAISFTRD-UHFFFAOYSA-N7-(6-dimethylamino-4-methylpyridin-3-yl)-2-methyl-1,2,4,5,6,7-hexahydropyrazolo[3,4-b]pyridin-3-one
Database identifiers
- PubChem CID
- 22136252
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 461
Related reactions
3 records
Compound notes
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