Basic information
- Standard SMILES
Cn1cc(-c2cc3c(-c4cccc(N5CCC(CN)CC5)n4)n[nH]c3cn2)cn1- InChIKey
QVACRZZJGYNCTJ-UHFFFAOYSA-N- Molecular formula
- C21H24N8
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.2123928
Names & identifiers
- Preferred name
- (1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-4-yl)methanamine
- IUPAC
- [1-[6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-4-yl]methanamine
Names & synonyms
CHEMBL3961362SCHEMBL14689753QVACRZZJGYNCTJ-UHFFFAOYSA-N(1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-4-yl)methanamine
Database identifiers
- PubChem CID
- 71254192
- ChEMBL
CHEMBL3961362
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
Related reactions
1 records
Compound notes
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