[4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone

C146H148Br3Cl2FN42O21 — CID 160774330

About [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone

[4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 160774330) has the molecular formula C146H148Br3Cl2FN42O21 and a molecular weight of 3156.68 g/mol. Its IUPAC name is [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
• PubChem CID: 160774330
• Molecular Formula: C146H148Br3Cl2FN42O21
• Molecular Weight: 3156.68 g/mol
• Exact Mass: 3150.87
• IUPAC Name: [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
• SMILES: COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Br)c4)n3)CC2C)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(C)c4)n3)CC2C)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C[C@H]2C)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)CC2C)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)CC2C)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(C)c4)n3)CC2C)n1.C[C@@H]1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1
• InChI: InChI=1S/C22H24N6O3.C21H21BrN6O3.C21H21ClN6O3.C21H21FN6O3.C21H23N7O3.C21H22N6O3.C19H16Br2ClN5O3/c1-15-6-4-7-17(12-15)28-14-23-20(25-28)22(30)26-10-11-27(16(2)13-26)21(29)18-8-5-9-19(24-18)31-3;3*1-14-12-26(9-10-27(14)20(29)17-7-4-8-18(24-17)31-2)21(30)19-23-13-28(25-19)16-6-3-5-15(22)11-16;1-14-6-4-7-16(12-14)28-24-19(23-25-28)21(30)26-10-11-27(15(2)13-26)20(29)17-8-5-9-18(22-17)31-3;1-15-13-25(11-12-26(15)20(28)17-9-6-10-18(23-17)30-2)21(29)19-22-14-27(24-19)16-7-4-3-5-8-16;1-11-9-25(5-6-26(11)18(28)15-8-14(20)16(21)30-15)19(29)17-23-10-27(24-17)13-4-2-3-12(22)7-13/h4-9,12,14,16H,10-11,13H2,1-3H3;3*3-8,11,13-14H,9-10,12H2,1-2H3;4-9,12,15H,10-11,13H2,1-3H3;3-10,14-15H,11-13H2,1-2H3;2-4,7-8,10-11H,5-6,9H2,1H3/t;;14-;;;;11-/m..1...1/s1
• InChIKey: RZSXXFKAFPITJP-GVCABDOHSA-N
• XLogP: 15.54
• TPSA: 658.06 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 27
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3156.68
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone?

The IUPAC name of [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone (CID 160774330) is [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone.

What is the SMILES notation for [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone?

The canonical SMILES for [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Br)c4)n3)CC2C)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(C)c4)n3)CC2C)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C[C@H]2C)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)CC2C)n1.COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4ccccc4)n3)CC2C)n1.COc1cccc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(C)c4)n3)CC2C)n1.C[C@@H]1CN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)CCN1C(=O)c1cc(Br)c(Br)o1.

What is the InChIKey of [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone?

The InChIKey is RZSXXFKAFPITJP-GVCABDOHSA-N. The full InChI is InChI=1S/C22H24N6O3.C21H21BrN6O3.C21H21ClN6O3.C21H21FN6O3.C21H23N7O3.C21H22N6O3.C19H16Br2ClN5O3/c1-15-6-4-7-17(12-15)28-14-23-20(25-28)22(30)26-10-11-27(16(2)13-26)21(29)18-8-5-9-19(24-18)31-3;3*1-14-12-26(9-10-27(14)20(29)17-7-4-8-18(24-17)31-2)21(30)19-23-13-28(25-19)16-6-3-5-15(22)11-16;1-14-6-4-7-16(12-14)28-24-19(23-25-28)21(30)26-10-11-27(15(2)13-26)20(29)17-8-5-9-18(22-17)31-3;1-15-13-25(11-12-26(15)20(28)17-9-6-10-18(23-17)30-2)21(29)19-22-14-27(24-19)16-7-4-3-5-8-16;1-11-9-25(5-6-26(11)18(28)15-8-14(20)16(21)30-15)19(29)17-23-10-27(24-17)13-4-2-3-12(22)7-13/h4-9,12,14,16H,10-11,13H2,1-3H3;3*3-8,11,13-14H,9-10,12H2,1-2H3;4-9,12,15H,10-11,13H2,1-3H3;3-10,14-15H,11-13H2,1-2H3;2-4,7-8,10-11H,5-6,9H2,1H3/t;;14-;;;;11-/m..1...1/s1.

What are the key properties of [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone?

[4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 3156.68 g/mol, XLogP of 15.54, 27 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-(3-bromophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(4,5-dibromofuran-2-yl)methanone;[(2R)-4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[2-(3-methylphenyl)tetrazole-5-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-[1-(3-methylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]methanone;(6-methoxy-2-pyridinyl)-[2-methyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 160774330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).