3-(4-[4-methoxycarbonylphenyl]piperazin-1-yl)methyl-1H-pyrrolo[2,3-b]pyridine
Basic information
- Standard SMILES
COC(=O)c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1- InChIKey
JNRSCFXHXMDNGS-UHFFFAOYSA-N- Molecular formula
- C20H22N4O2
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-[4-methoxycarbonylphenyl]piperazin-1-yl)methyl-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- methyl 4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]benzoate
Names & synonyms
SCHEMBL8857992JNRSCFXHXMDNGS-UHFFFAOYSA-N3-(4-[4-methoxycarbonylphenyl]piperazin-1-yl)methyl-1H-pyrrolo[2,3-b]pyridine
Database identifiers
- PubChem CID
- 19958505
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 472
Related reactions
2 records
Compound notes
Loading…