[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone

C130H132Br4Cl2F4N34O18 — CID 158741507

About [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone

[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone (PubChem CID 158741507) has the molecular formula C130H132Br4Cl2F4N34O18 and a molecular weight of 2925.22 g/mol. Its IUPAC name is [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
• PubChem CID: 158741507
• Molecular Formula: C130H132Br4Cl2F4N34O18
• Molecular Weight: 2925.22 g/mol
• Exact Mass: 2918.65
• IUPAC Name: [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
• SMILES: CCC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc(OC)n1.CCC1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.CCC1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cccc(OC)n1.CCC[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.CCC[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cccc(OC)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2(C)C)n1
• InChI: InChI=1S/C23H25FN6O3.2C22H23ClN6O3.C22H23FN6O3.C21H20Br2FN5O3.C20H18Br2FN5O3/c1-3-6-18-14-28(11-12-29(18)22(31)19-9-5-10-20(26-19)33-2)23(32)21-25-15-30(27-21)17-8-4-7-16(24)13-17;1-22(2)13-27(10-11-28(22)20(30)17-8-5-9-18(25-17)32-3)21(31)19-24-14-29(26-19)16-7-4-6-15(23)12-16;2*1-3-16-13-27(10-11-28(16)21(30)18-8-5-9-19(25-18)32-2)22(31)20-24-14-29(26-20)17-7-4-6-15(23)12-17;1-2-4-15-11-27(7-8-28(15)20(30)17-10-16(22)18(23)32-17)21(31)19-25-12-29(26-19)14-6-3-5-13(24)9-14;1-2-13-10-26(6-7-27(13)19(29)16-9-15(21)17(22)31-16)20(30)18-24-11-28(25-18)14-5-3-4-12(23)8-14/h4-5,7-10,13,15,18H,3,6,11-12,14H2,1-2H3;4-9,12,14H,10-11,13H2,1-3H3;2*4-9,12,14,16H,3,10-11,13H2,1-2H3;3,5-6,9-10,12,15H,2,4,7-8,11H2,1H3;3-5,8-9,11,13H,2,6-7,10H2,1H3/t18-;;;;15-;/m0...0./s1
• InChIKey: IMIWIJWDMKVXTC-WMQBVMLRSA-N
• XLogP: 18.36
• TPSA: 542.74 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2925.22
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?

The IUPAC name of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone (CID 158741507) is [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone.

What is the SMILES notation for [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?

The canonical SMILES for [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone is CCC1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cccc(OC)n1.CCC1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.CCC1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cccc(OC)n1.CCC[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.CCC[C@H]1CN(C(=O)c2ncn(-c3cccc(F)c3)n2)CCN1C(=O)c1cccc(OC)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)CC2(C)C)n1.

What is the InChIKey of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?

The InChIKey is IMIWIJWDMKVXTC-WMQBVMLRSA-N. The full InChI is InChI=1S/C23H25FN6O3.2C22H23ClN6O3.C22H23FN6O3.C21H20Br2FN5O3.C20H18Br2FN5O3/c1-3-6-18-14-28(11-12-29(18)22(31)19-9-5-10-20(26-19)33-2)23(32)21-25-15-30(27-21)17-8-4-7-16(24)13-17;1-22(2)13-27(10-11-28(22)20(30)17-8-5-9-18(25-17)32-3)21(31)19-24-14-29(26-19)16-7-4-6-15(23)12-16;2*1-3-16-13-27(10-11-28(16)21(30)18-8-5-9-19(25-18)32-2)22(31)20-24-14-29(26-20)17-7-4-6-15(23)12-17;1-2-4-15-11-27(7-8-28(15)20(30)17-10-16(22)18(23)32-17)21(31)19-25-12-29(26-19)14-6-3-5-13(24)9-14;1-2-13-10-26(6-7-27(13)19(29)16-9-15(21)17(22)31-16)20(30)18-24-11-28(25-18)14-5-3-4-12(23)8-14/h4-5,7-10,13,15,18H,3,6,11-12,14H2,1-2H3;4-9,12,14H,10-11,13H2,1-3H3;2*4-9,12,14,16H,3,10-11,13H2,1-2H3;3,5-6,9-10,12,15H,2,4,7-8,11H2,1H3;3-5,8-9,11,13H,2,6-7,10H2,1H3/t18-;;;;15-;/m0...0./s1.

What are the key properties of [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone?

[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone has a molecular weight of 2925.22 g/mol, XLogP of 18.36, 29 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2,2-dimethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-ethylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(4,5-dibromofuran-2-yl)-[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(4,5-dibromofuran-2-yl)-[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]methanone;[2-ethyl-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2S)-4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-propylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 158741507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).