Basic information
- Standard SMILES
c1ccc(Cn2cc(-c3cc4c(cn3)[nH]c3ncc(-c5ccc(CN6CCCCC6)cc5)cc34)nn2)cc1- InChIKey
JPTYMEKKOCZXOG-UHFFFAOYSA-N- Molecular formula
- C31H29N7
- Average molar mass
- 499.6 g/mol
Names & identifiers
- Preferred name
- 6-(1-Benzyl-1H-1,2,3-triazol-4-yl)-3-(4-piperidin-1-ylmethylphenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
- IUPAC
- 4-(1-benzyltriazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
Names & synonyms
SCHEMBL1896465JPTYMEKKOCZXOG-UHFFFAOYSA-N6-(1-Benzyl-1H-1,2,3-triazol-4-yl)-3-(4-piperidin-1-ylmethylphenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
Database identifiers
- PubChem CID
- 44546552
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 745
Related reactions
4 records
Compound notes
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