3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
Basic information
- CAS
158985-08-1- Standard SMILES
Ic1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1- InChIKey
OOEUHRGMLFVKQO-UHFFFAOYSA-N- Molecular formula
- C18H19IN4
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 418.06544
Overview
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is a member of piperazines.
Names & identifiers
- Preferred name
- 3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
- IUPAC
- 3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
- English name
- 3-[[4-(4-Iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
- Molecular formula
- C18H19IN4
- Molecular weight
- 418.27
Names & synonyms
158985-08-1L 750667Lopac-L-133L750667L-750,6673-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridineCHEMBL60518OOEUHRGMLFVKQO-UHFFFAOYSA-NBiomol-NT_000062Lopac0_000722GTPL978BPBio1_001349
Show more names
3-((4-(4-iodophenyl)piperazin-1-yl)Methyl)-1H-pyrrolo[2,3-b]pyr3-[[4-(4-Iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine1H-Pyrrolo[2,3-b]pyridine, 3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-
orb3135028SCHEMBL5198466CHEBI:92507DTXSID4013568303-(4-(4-iodophenyl)piperazine-1-yl)methylpyrrolo(2,3-b)pyridineBDBM50050465CCG-204807SDCCGSBI-0050700.P002
Database identifiers
- CAS
158985-08-1- PubChem CID
- 6603897
- DTXSID
DTXSID401356830- ChEMBL
CHEMBL60518- ChEBI
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 596.5 · 596.5±50.0 °C(Predicted)
- Density
- 1.62 · 1.62
- pka
- 8.2 · 8.20±0.20(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is a member of piperazines.
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Related reactions
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Compound notes
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