2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde

C24H22N4O — CID 87374284

IUPAC2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde
SMILESO=Cc1c(N2CCNCC2)n(-c2ccccc2-c2ccncc2)c2ccccc12
InChIInChI=1S/C24H22N4O/c29-17-21-20-6-2-4-8-23(20)28(24(21)27-15-13-26-14-16-27)22-7-3-1-5-19(22)18-9-11-25-12-10-18/h1-12,17,26H,13-16H2
InChIKeyNHANAKBDZBJDDQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.91
Rot. Bonds4

About 2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde

2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde (PubChem CID 87374284) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde
PubChem CID87374284
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde
SMILESO=Cc1c(N2CCNCC2)n(-c2ccccc2-c2ccncc2)c2ccccc12
InChIInChI=1S/C24H22N4O/c29-17-21-20-6-2-4-8-23(20)28(24(21)27-15-13-26-14-16-27)22-7-3-1-5-19(22)18-9-11-25-12-10-18/h1-12,17,26H,13-16H2
InChIKeyNHANAKBDZBJDDQ-UHFFFAOYSA-N
XLogP3.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.91
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 2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde?
The IUPAC name of 2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde (CID 87374284) is 2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde.
What is the SMILES notation for 2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde?
The canonical SMILES for 2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde is O=Cc1c(N2CCNCC2)n(-c2ccccc2-c2ccncc2)c2ccccc12.
What is the InChIKey of 2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde?
The InChIKey is NHANAKBDZBJDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-17-21-20-6-2-4-8-23(20)28(24(21)27-15-13-26-14-16-27)22-7-3-1-5-19(22)18-9-11-25-12-10-18/h1-12,17,26H,13-16H2.
What are the key properties of 2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde?
2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde has a molecular weight of 382.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-(2-pyridin-4-ylphenyl)indole-3-carbaldehyde is sourced from PubChem (CID 87374284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).