3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole

C23H22N4 — CID 57390288

IUPAC3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole
SMILESc1cncc(-c2ccc3[nH]cc(-c4ccc(N5CCNCC5)cc4)c3c2)c1
InChIInChI=1S/C23H22N4/c1-2-19(15-25-9-1)18-5-8-23-21(14-18)22(16-26-23)17-3-6-20(7-4-17)27-12-10-24-11-13-27/h1-9,14-16,24,26H,10-13H2
InChIKeyWEPFOMSXGUEDJU-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.31
Rot. Bonds3

About 3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole

3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole (PubChem CID 57390288) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole.

Molecular Properties

Compound Name3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole
PubChem CID57390288
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole
SMILESc1cncc(-c2ccc3[nH]cc(-c4ccc(N5CCNCC5)cc4)c3c2)c1
InChIInChI=1S/C23H22N4/c1-2-19(15-25-9-1)18-5-8-23-21(14-18)22(16-26-23)17-3-6-20(7-4-17)27-12-10-24-11-13-27/h1-9,14-16,24,26H,10-13H2
InChIKeyWEPFOMSXGUEDJU-UHFFFAOYSA-N
XLogP4.31
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole?
The IUPAC name of 3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole (CID 57390288) is 3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole.
What is the SMILES notation for 3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole?
The canonical SMILES for 3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole is c1cncc(-c2ccc3[nH]cc(-c4ccc(N5CCNCC5)cc4)c3c2)c1.
What is the InChIKey of 3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole?
The InChIKey is WEPFOMSXGUEDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-2-19(15-25-9-1)18-5-8-23-21(14-18)22(16-26-23)17-3-6-20(7-4-17)27-12-10-24-11-13-27/h1-9,14-16,24,26H,10-13H2.
What are the key properties of 3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole?
3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole has a molecular weight of 354.46 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperazin-1-ylphenyl)-5-pyridin-3-yl-1H-indole is sourced from PubChem (CID 57390288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).