2-Hydroxy-3-{5-[(4-methylpiperidin-1-yl)methyl]pyridin-2-yl}-1H-indole-5-carbonitrile
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Basic information
- Standard SMILES
CC1CCN(Cc2ccc(-c3c(O)[nH]c4ccc(C#N)cc34)nc2)CC1- InChIKey
GPTISHQYMJHWON-UHFFFAOYSA-N- Molecular formula
- C21H22N4O
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.17936134
Names & identifiers
- Preferred name
- 2-Hydroxy-3-{5-[(4-methylpiperidin-1-yl)methyl]pyridin-2-yl}-1H-indole-5-carbonitrile
- IUPAC
- 2-hydroxy-3-[5-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1H-indole-5-carbonitrile
Names & synonyms
SCHEMBL4059903GPTISHQYMJHWON-UHFFFAOYSA-N2-Hydroxy-3-{5-[(4-methylpiperidin-1-yl)methyl]pyridin-2-yl}-1H-indole-5-carbonitrile
Database identifiers
- PubChem CID
- 136342121
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 523
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Related reactions
1 records
Compound notes
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