1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone

C116H134F2N30O8S2 — CID 159622626

About 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone

1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone (PubChem CID 159622626) has the molecular formula C116H134F2N30O8S2 and a molecular weight of 2178.68 g/mol. Its IUPAC name is 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone
• PubChem CID: 159622626
• Molecular Formula: C116H134F2N30O8S2
• Molecular Weight: 2178.68 g/mol
• Exact Mass: 2177.04
• IUPAC Name: 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone
• SMILES: CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1ccccc1F.CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1cccs1.CC(=O)c1nnc(Nc2ccc(N3CCNCC3)cc2)cc1NC1CCCCC1.CC(=O)c1nnc(Nc2ccc(N3CCNCC3)cc2)cc1NCc1cccs1
• InChI: InChI=1S/2C25H27FN6O2.C23H26N6O2S.C22H30N6O.C21H24N6OS/c1-17(33)25-23(27-16-19-4-3-5-20(26)14-19)15-24(29-30-25)28-21-6-8-22(9-7-21)32-12-10-31(11-13-32)18(2)34;1-17(33)25-23(27-16-19-5-3-4-6-22(19)26)15-24(29-30-25)28-20-7-9-21(10-8-20)32-13-11-31(12-14-32)18(2)34;1-16(30)23-21(24-15-20-4-3-13-32-20)14-22(26-27-23)25-18-5-7-19(8-6-18)29-11-9-28(10-12-29)17(2)31;1-16(29)22-20(24-17-5-3-2-4-6-17)15-21(26-27-22)25-18-7-9-19(10-8-18)28-13-11-23-12-14-28;1-15(28)21-19(23-14-18-3-2-12-29-18)13-20(25-26-21)24-16-4-6-17(7-5-16)27-10-8-22-9-11-27/h3-9,14-15H,10-13,16H2,1-2H3,(H2,27,28,29);3-10,15H,11-14,16H2,1-2H3,(H2,27,28,29);3-8,13-14H,9-12,15H2,1-2H3,(H2,24,25,26);7-10,15,17,23H,2-6,11-14H2,1H3,(H2,24,25,26);2-7,12-13,22H,8-11,14H2,1H3,(H2,23,24,25)
• InChIKey: MOBTZUWGQOOXEE-UHFFFAOYSA-N
• XLogP: 18.53
• TPSA: 435.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 34
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2178.68
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone?

The IUPAC name of 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone (CID 159622626) is 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone.

What is the SMILES notation for 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone?

The canonical SMILES for 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1ccccc1F.CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1cccs1.CC(=O)c1nnc(Nc2ccc(N3CCNCC3)cc2)cc1NC1CCCCC1.CC(=O)c1nnc(Nc2ccc(N3CCNCC3)cc2)cc1NCc1cccs1.

What is the InChIKey of 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone?

The InChIKey is MOBTZUWGQOOXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H27FN6O2.C23H26N6O2S.C22H30N6O.C21H24N6OS/c1-17(33)25-23(27-16-19-4-3-5-20(26)14-19)15-24(29-30-25)28-21-6-8-22(9-7-21)32-12-10-31(11-13-32)18(2)34;1-17(33)25-23(27-16-19-5-3-4-6-22(19)26)15-24(29-30-25)28-20-7-9-21(10-8-20)32-13-11-31(12-14-32)18(2)34;1-16(30)23-21(24-15-20-4-3-13-32-20)14-22(26-27-23)25-18-5-7-19(8-6-18)29-11-9-28(10-12-29)17(2)31;1-16(29)22-20(24-17-5-3-2-4-6-17)15-21(26-27-22)25-18-7-9-19(10-8-18)28-13-11-23-12-14-28;1-15(28)21-19(23-14-18-3-2-12-29-18)13-20(25-26-21)24-16-4-6-17(7-5-16)27-10-8-22-9-11-27/h3-9,14-15H,10-13,16H2,1-2H3,(H2,27,28,29);3-10,15H,11-14,16H2,1-2H3,(H2,27,28,29);3-8,13-14H,9-12,15H2,1-2H3,(H2,24,25,26);7-10,15,17,23H,2-6,11-14H2,1H3,(H2,24,25,26);2-7,12-13,22H,8-11,14H2,1H3,(H2,23,24,25).

What are the key properties of 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone?

1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone has a molecular weight of 2178.68 g/mol, XLogP of 18.53, 34 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(cyclohexylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone is sourced from PubChem (CID 159622626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).