1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde

C18H18N4O — CID 11392610

IUPAC1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1c(N2CCNCC2)n(-c2ccccc2)c2ncccc12
InChIInChI=1S/C18H18N4O/c23-13-16-15-7-4-8-20-17(15)22(14-5-2-1-3-6-14)18(16)21-11-9-19-10-12-21/h1-8,13,19H,9-12H2
InChIKeyBDGQWFAMCDTIOA-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.25
Rot. Bonds3

About 1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde

1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 11392610) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID11392610
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1c(N2CCNCC2)n(-c2ccccc2)c2ncccc12
InChIInChI=1S/C18H18N4O/c23-13-16-15-7-4-8-20-17(15)22(14-5-2-1-3-6-14)18(16)21-11-9-19-10-12-21/h1-8,13,19H,9-12H2
InChIKeyBDGQWFAMCDTIOA-UHFFFAOYSA-N
XLogP2.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 11392610) is 1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde is O=Cc1c(N2CCNCC2)n(-c2ccccc2)c2ncccc12.
What is the InChIKey of 1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is BDGQWFAMCDTIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-13-16-15-7-4-8-20-17(15)22(14-5-2-1-3-6-14)18(16)21-11-9-19-10-12-21/h1-8,13,19H,9-12H2.
What are the key properties of 1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 306.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 11392610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).