2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C26H25FN6O2 — CID 71667565

IUPAC2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C26H25FN6O2/c1-35-22-11-7-19(8-12-22)25-29-26(20-5-9-21(27)10-6-20)33(30-25)18-24(34)32-16-14-31(15-17-32)23-4-2-3-13-28-23/h2-13H,14-18H2,1H3
InChIKeyUUXVKJBLMXVDEC-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.50
Rot. Bonds6

About 2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71667565) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID71667565
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C26H25FN6O2/c1-35-22-11-7-19(8-12-22)25-29-26(20-5-9-21(27)10-6-20)33(30-25)18-24(34)32-16-14-31(15-17-32)23-4-2-3-13-28-23/h2-13H,14-18H2,1H3
InChIKeyUUXVKJBLMXVDEC-UHFFFAOYSA-N
XLogP3.50
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone 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 2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 71667565) is 2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is COc1ccc(-c2nc(-c3ccc(F)cc3)n(CC(=O)N3CCN(c4ccccn4)CC3)n2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is UUXVKJBLMXVDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-35-22-11-7-19(8-12-22)25-29-26(20-5-9-21(27)10-6-20)33(30-25)18-24(34)32-16-14-31(15-17-32)23-4-2-3-13-28-23/h2-13H,14-18H2,1H3.
What are the key properties of 2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 472.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71667565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).