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

C17H17N5O — CID 11489516

IUPAC2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1c(N2CCNCC2)n(-c2cccnc2)c2ncccc12
InChIInChI=1S/C17H17N5O/c23-12-15-14-4-2-6-20-16(14)22(13-3-1-5-19-11-13)17(15)21-9-7-18-8-10-21/h1-6,11-12,18H,7-10H2
InChIKeySVVHJHNOOITBJG-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.64
Rot. Bonds3

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

2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 11489516) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID11489516
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1c(N2CCNCC2)n(-c2cccnc2)c2ncccc12
InChIInChI=1S/C17H17N5O/c23-12-15-14-4-2-6-20-16(14)22(13-3-1-5-19-11-13)17(15)21-9-7-18-8-10-21/h1-6,11-12,18H,7-10H2
InChIKeySVVHJHNOOITBJG-UHFFFAOYSA-N
XLogP1.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 11489516) is 2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde is O=Cc1c(N2CCNCC2)n(-c2cccnc2)c2ncccc12.
What is the InChIKey of 2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is SVVHJHNOOITBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-12-15-14-4-2-6-20-16(14)22(13-3-1-5-19-11-13)17(15)21-9-7-18-8-10-21/h1-6,11-12,18H,7-10H2.
What are the key properties of 2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 307.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 11489516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).