3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

C24H27FN6 — CID 10716915

IUPAC3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESFc1ccc(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1
InChIInChI=1S/C24H27FN6/c25-21-5-3-19(4-6-21)16-30-12-10-29(11-13-30)9-1-2-20-15-26-24-8-7-22(14-23(20)24)31-17-27-28-18-31/h3-8,14-15,17-18,26H,1-2,9-13,16H2
InChIKeyFPAXHQTWHNEGRL-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.64
Rot. Bonds7

About 3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 10716915) has the molecular formula C24H27FN6 and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID10716915
Molecular FormulaC24H27FN6
Molecular Weight418.52 g/mol
Exact Mass418.23
IUPAC Name3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESFc1ccc(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1
InChIInChI=1S/C24H27FN6/c25-21-5-3-19(4-6-21)16-30-12-10-29(11-13-30)9-1-2-20-15-26-24-8-7-22(14-23(20)24)31-17-27-28-18-31/h3-8,14-15,17-18,26H,1-2,9-13,16H2
InChIKeyFPAXHQTWHNEGRL-UHFFFAOYSA-N
XLogP3.64
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-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 3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 10716915) is 3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is Fc1ccc(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1.
What is the InChIKey of 3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is FPAXHQTWHNEGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6/c25-21-5-3-19(4-6-21)16-30-12-10-29(11-13-30)9-1-2-20-15-26-24-8-7-22(14-23(20)24)31-17-27-28-18-31/h3-8,14-15,17-18,26H,1-2,9-13,16H2.
What are the key properties of 3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 418.52 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 10716915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).