About [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 71199937) has the molecular formula C26H19ClF4N6O
and a molecular weight of 542.92 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone.
Molecular Properties
| Compound Name | [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone |
|---|
| PubChem CID | 71199937 |
|---|
| Molecular Formula | C26H19ClF4N6O |
|---|
| Molecular Weight | 542.92 g/mol |
|---|
| Exact Mass | 542.12 |
|---|
| IUPAC Name | [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone |
|---|
| SMILES | O=C(c1ccc(C(F)(F)F)cn1)N1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1 |
|---|
| InChI | InChI=1S/C26H19ClF4N6O/c27-20-14-32-8-7-19(20)24-23(16-1-4-18(28)5-2-16)34-15-22(35-24)36-9-11-37(12-10-36)25(38)21-6-3-17(13-33-21)26(29,30)31/h1-8,13-15H,9-12H2 |
|---|
| InChIKey | ZFJZDCIYSJQKDH-UHFFFAOYSA-N |
|---|
| XLogP | 5.37 |
|---|
| TPSA | 75.11 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 542.92 |
| LogP ≤ 5 | 5.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone 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 [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone (CID 71199937) is [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)cn1)N1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is ZFJZDCIYSJQKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF4N6O/c27-20-14-32-8-7-19(20)24-23(16-1-4-18(28)5-2-16)34-15-22(35-24)36-9-11-37(12-10-36)25(38)21-6-3-17(13-33-21)26(29,30)31/h1-8,13-15H,9-12H2.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 542.92 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 71199937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).