1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole

C25H28N4S — CID 5329366

IUPAC1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole
SMILESCN1CCN(CCCn2cc(-c3cncc(-c4ccsc4)c3)c3ccccc32)CC1
InChIInChI=1S/C25H28N4S/c1-27-10-12-28(13-11-27)8-4-9-29-18-24(23-5-2-3-6-25(23)29)22-15-21(16-26-17-22)20-7-14-30-19-20/h2-3,5-7,14-19H,4,8-13H2,1H3
InChIKeyFYOYABXHBTZQMB-UHFFFAOYSA-N
MW416.59 g/mol
LogP5.07
Rot. Bonds6

About 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole

1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole (PubChem CID 5329366) has the molecular formula C25H28N4S and a molecular weight of 416.59 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole
PubChem CID5329366
Molecular FormulaC25H28N4S
Molecular Weight416.59 g/mol
Exact Mass416.20
IUPAC Name1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole
SMILESCN1CCN(CCCn2cc(-c3cncc(-c4ccsc4)c3)c3ccccc32)CC1
InChIInChI=1S/C25H28N4S/c1-27-10-12-28(13-11-27)8-4-9-29-18-24(23-5-2-3-6-25(23)29)22-15-21(16-26-17-22)20-7-14-30-19-20/h2-3,5-7,14-19H,4,8-13H2,1H3
InChIKeyFYOYABXHBTZQMB-UHFFFAOYSA-N
XLogP5.07
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.59
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole (CID 5329366) is 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole is CN1CCN(CCCn2cc(-c3cncc(-c4ccsc4)c3)c3ccccc32)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole?
The InChIKey is FYOYABXHBTZQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4S/c1-27-10-12-28(13-11-27)8-4-9-29-18-24(23-5-2-3-6-25(23)29)22-15-21(16-26-17-22)20-7-14-30-19-20/h2-3,5-7,14-19H,4,8-13H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole?
1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole has a molecular weight of 416.59 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)propyl]-3-(5-thiophen-3-yl-3-pyridinyl)indole is sourced from PubChem (CID 5329366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).