bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone

C164H238N54O9 — CID 159521735

About bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone

bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone (PubChem CID 159521735) has the molecular formula C164H238N54O9 and a molecular weight of 3110.08 g/mol. Its IUPAC name is bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone.

Molecular Properties

• Compound Name: bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone
• PubChem CID: 159521735
• Molecular Formula: C164H238N54O9
• Molecular Weight: 3110.08 g/mol
• Exact Mass: 3107.98
• IUPAC Name: bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone
• SMILES: Cc1ccc(N2CCN(C(=O)Cc3cn(C(C)C)cn3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C(C)C)cn3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C(C)C)cn3)C[C@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C(C)C)cn3)C[C@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C)c(C(C)C)n3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C)c(C(C)C)n3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C)c(C(C)C)n3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C)c(C(C)C)n3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C)c(C(C)C)n3)C[C@H]2C)nn1
• InChI: InChI=1S/3C19H28N6O.5C18H26N6O.C17H24N6O/c3*1-13(2)19-20-16(12-23(19)5)10-18(26)24-8-9-25(15(4)11-24)17-7-6-14(3)21-22-17;2*1-13(2)18-19-15(12-22(18)4)11-17(25)24-9-7-23(8-10-24)16-6-5-14(3)20-21-16;3*1-13(2)23-11-16(19-12-23)9-18(25)22-7-8-24(15(4)10-22)17-6-5-14(3)20-21-17;1-13(2)23-11-15(18-12-23)10-17(24)22-8-6-21(7-9-22)16-5-4-14(3)19-20-16/h3*6-7,12-13,15H,8-11H2,1-5H3;2*5-6,12-13H,7-11H2,1-4H3;3*5-6,11-13,15H,7-10H2,1-4H3;4-5,11-13H,6-10H2,1-3H3/t3*15-;;;3*15-;/m100..110./s1
• InChIKey: MBWSHAPUOCPFMZ-QOBAUREHSA-N
• XLogP: 15.81
• TPSA: 604.35 Ų
• H-Bond Acceptors: 54
• Rotatable Bonds: 36
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3110.08
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone?

The IUPAC name of bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone (CID 159521735) is bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone.

What is the SMILES notation for bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone?

The canonical SMILES for bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone is Cc1ccc(N2CCN(C(=O)Cc3cn(C(C)C)cn3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C(C)C)cn3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C(C)C)cn3)C[C@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C(C)C)cn3)C[C@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C)c(C(C)C)n3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C)c(C(C)C)n3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C)c(C(C)C)n3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C)c(C(C)C)n3)C[C@@H]2C)nn1.Cc1ccc(N2CCN(C(=O)Cc3cn(C)c(C(C)C)n3)C[C@H]2C)nn1.

What is the InChIKey of bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone?

The InChIKey is MBWSHAPUOCPFMZ-QOBAUREHSA-N. The full InChI is InChI=1S/3C19H28N6O.5C18H26N6O.C17H24N6O/c3*1-13(2)19-20-16(12-23(19)5)10-18(26)24-8-9-25(15(4)11-24)17-7-6-14(3)21-22-17;2*1-13(2)18-19-15(12-22(18)4)11-17(25)24-9-7-23(8-10-24)16-6-5-14(3)20-21-16;3*1-13(2)23-11-16(19-12-23)9-18(25)22-7-8-24(15(4)10-22)17-6-5-14(3)20-21-17;1-13(2)23-11-15(18-12-23)10-17(24)22-8-6-21(7-9-22)16-5-4-14(3)19-20-16/h3*6-7,12-13,15H,8-11H2,1-5H3;2*5-6,12-13H,7-11H2,1-4H3;3*5-6,11-13,15H,7-10H2,1-4H3;4-5,11-13H,6-10H2,1-3H3/t3*15-;;;3*15-;/m100..110./s1.

What are the key properties of bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone?

bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone has a molecular weight of 3110.08 g/mol, XLogP of 15.81, 36 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone);1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-methyl-2-propan-2-ylimidazol-4-yl)ethanone;1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone;bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone);bis(2-(1-methyl-2-propan-2-ylimidazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(1-propan-2-ylimidazol-4-yl)ethanone is sourced from PubChem (CID 159521735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).