About 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine
1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine (PubChem CID 160898355) has the molecular formula C124H124ClFN24O3
and a molecular weight of 2052.97 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine.
Molecular Properties
| Compound Name | 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine |
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| PubChem CID | 160898355 |
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| Molecular Formula | C124H124ClFN24O3 |
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| Molecular Weight | 2052.97 g/mol |
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| Exact Mass | 2051.00 |
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| IUPAC Name | 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine |
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| SMILES | CC(=O)c1cccc(-c2nccnc2N2CCN(c3ccccc3)CC2)c1.COc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1.COc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1.Clc1cccc(-c2ncccc2N2CCN(c3ccncc3)CC2)c1.Fc1cccc(-c2nccnc2N2CCN(c3ccccc3)CC2)c1.c1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1 |
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| InChI | InChI=1S/C22H22N4O.2C21H22N4O.C20H19ClN4.C20H19FN4.C20H20N4/c1-17(27)18-6-5-7-19(16-18)21-22(24-11-10-23-21)26-14-12-25(13-15-26)20-8-3-2-4-9-20;2*1-26-19-6-4-17(5-7-19)21-20(3-2-10-23-21)25-15-13-24(14-16-25)18-8-11-22-12-9-18;21-17-4-1-3-16(15-17)20-19(5-2-8-23-20)25-13-11-24(12-14-25)18-6-9-22-10-7-18;21-17-6-4-5-16(15-17)19-20(23-10-9-22-19)25-13-11-24(12-14-25)18-7-2-1-3-8-18;1-2-5-17(6-3-1)20-19(7-4-10-22-20)24-15-13-23(14-16-24)18-8-11-21-12-9-18/h2-11,16H,12-15H2,1H3;2*2-12H,13-16H2,1H3;2*1-10,15H,11-14H2;1-12H,13-16H2 |
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| InChIKey | SPEDYRNTDYPXSN-UHFFFAOYSA-N |
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| XLogP | 21.83 |
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| TPSA | 229.09 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 27 |
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| Rotatable Bonds | 21 |
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| Heavy Atoms | 153 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 2052.97 |
| LogP ≤ 5 | 21.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |
Analyze 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine (CID 160898355) is 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine is CC(=O)c1cccc(-c2nccnc2N2CCN(c3ccccc3)CC2)c1.COc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1.COc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1.Clc1cccc(-c2ncccc2N2CCN(c3ccncc3)CC2)c1.Fc1cccc(-c2nccnc2N2CCN(c3ccccc3)CC2)c1.c1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine?
The InChIKey is SPEDYRNTDYPXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.2C21H22N4O.C20H19ClN4.C20H19FN4.C20H20N4/c1-17(27)18-6-5-7-19(16-18)21-22(24-11-10-23-21)26-14-12-25(13-15-26)20-8-3-2-4-9-20;2*1-26-19-6-4-17(5-7-19)21-20(3-2-10-23-21)25-15-13-24(14-16-25)18-8-11-22-12-9-18;21-17-4-1-3-16(15-17)20-19(5-2-8-23-20)25-13-11-24(12-14-25)18-6-9-22-10-7-18;21-17-6-4-5-16(15-17)19-20(23-10-9-22-19)25-13-11-24(12-14-25)18-7-2-1-3-8-18;1-2-5-17(6-3-1)20-19(7-4-10-22-20)24-15-13-23(14-16-24)18-8-11-21-12-9-18/h2-11,16H,12-15H2,1H3;2*2-12H,13-16H2,1H3;2*1-10,15H,11-14H2;1-12H,13-16H2.
What are the key properties of 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine?
1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine has a molecular weight of 2052.97 g/mol, XLogP of 21.83, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;2-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrazine;bis(1-[2-(4-methoxyphenyl)-3-pyridinyl]-4-pyridin-4-ylpiperazine);1-[3-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]ethanone;1-(2-phenyl-3-pyridinyl)-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 160898355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).