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

C120H134F2N30O9S2 — CID 159550917

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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone (PubChem CID 159550917) has the molecular formula C120H134F2N30O9S2 and a molecular weight of 2242.72 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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone
• PubChem CID: 159550917
• Molecular Formula: C120H134F2N30O9S2
• Molecular Weight: 2242.72 g/mol
• Exact Mass: 2241.04
• 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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)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)cc1NCc1ccccc1C.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)cc1NCc1cccs1
• InChI: InChI=1S/C26H30N6O2.2C25H27FN6O2.C23H26N6O2S.C21H24N6OS/c1-18-6-4-5-7-21(18)17-27-24-16-25(29-30-26(24)19(2)33)28-22-8-10-23(11-9-22)32-14-12-31(13-15-32)20(3)34;1-17(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;1-15(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/h4-11,16H,12-15,17H2,1-3H3,(H2,27,28,29);3-9,14-15H,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);2-7,12-13,22H,8-11,14H2,1H3,(H2,23,24,25)
• InChIKey: MFJMFIPEEMGGKH-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 444.02 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.72
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	11
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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone (CID 159550917) 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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)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)cc1NCc1ccccc1C.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)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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone?

The InChIKey is MFJMFIPEEMGGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2.2C25H27FN6O2.C23H26N6O2S.C21H24N6OS/c1-18-6-4-5-7-21(18)17-27-24-16-25(29-30-26(24)19(2)33)28-22-8-10-23(11-9-22)32-14-12-31(13-15-32)20(3)34;1-17(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;1-15(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/h4-11,16H,12-15,17H2,1-3H3,(H2,27,28,29);3-9,14-15H,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);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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone has a molecular weight of 2242.72 g/mol, XLogP of 18.97, 35 rotatable bonds, 11 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-[(2-methylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-(4-piperazin-1-ylanilino)-4-(thiophen-2-ylmethylamino)pyridazin-3-yl]ethanone is sourced from PubChem (CID 159550917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).