N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone

C123H127F3N30O10S3 — CID 158249811

About N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone

N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone (PubChem CID 158249811) has the molecular formula C123H127F3N30O10S3 and a molecular weight of 2338.76 g/mol. Its IUPAC name is N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone.

Molecular Properties

• Compound Name: N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone
• PubChem CID: 158249811
• Molecular Formula: C123H127F3N30O10S3
• Molecular Weight: 2338.76 g/mol
• Exact Mass: 2336.95
• IUPAC Name: N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone
• SMILES: CC(=O)c1nnc(Nc2ccc(N(C)C(C)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N(C)S(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1cc(-n2ccnc2)ccc1F.CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1cccc2ccsc12.CC(=O)c1nnc(Nc2ccc(N3CCNCC3)cc2)cc1NCc1cccc2ccsc12
• InChI: InChI=1S/C28H29FN8O2.C27H28N6O2S.C25H26N6OS.C22H22FN5O2.C21H22FN5O3S/c1-19(38)28-26(31-17-21-15-24(7-8-25(21)29)37-10-9-30-18-37)16-27(33-34-28)32-22-3-5-23(6-4-22)36-13-11-35(12-14-36)20(2)39;1-18(34)26-24(28-17-21-5-3-4-20-10-15-36-27(20)21)16-25(30-31-26)29-22-6-8-23(9-7-22)33-13-11-32(12-14-33)19(2)35;1-17(32)24-22(27-16-19-4-2-3-18-9-14-33-25(18)19)15-23(29-30-24)28-20-5-7-21(8-6-20)31-12-10-26-11-13-31;1-14(29)22-20(24-13-16-5-4-6-17(23)11-16)12-21(26-27-22)25-18-7-9-19(10-8-18)28(3)15(2)30;1-14(28)21-19(23-13-15-5-4-6-16(22)11-15)12-20(25-26-21)24-17-7-9-18(10-8-17)27(2)31(3,29)30/h3-10,15-16,18H,11-14,17H2,1-2H3,(H2,31,32,33);3-10,15-16H,11-14,17H2,1-2H3,(H2,28,29,30);2-9,14-15,26H,10-13,16H2,1H3,(H2,27,28,29);4-12H,13H2,1-3H3,(H2,24,25,26);4-12H,13H2,1-3H3,(H2,23,24,25)
• InChIKey: GGOOJSJPTYEINM-UHFFFAOYSA-N
• XLogP: 21.33
• TPSA: 472.43 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 37
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2338.76
LogP ≤ 5	21.33
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone?

The IUPAC name of N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone (CID 158249811) is N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone.

What is the SMILES notation for N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone?

The canonical SMILES for N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2ccc(N(C)C(C)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N(C)S(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1cc(-n2ccnc2)ccc1F.CC(=O)c1nnc(Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1NCc1cccc2ccsc12.CC(=O)c1nnc(Nc2ccc(N3CCNCC3)cc2)cc1NCc1cccc2ccsc12.

What is the InChIKey of N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone?

The InChIKey is GGOOJSJPTYEINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN8O2.C27H28N6O2S.C25H26N6OS.C22H22FN5O2.C21H22FN5O3S/c1-19(38)28-26(31-17-21-15-24(7-8-25(21)29)37-10-9-30-18-37)16-27(33-34-28)32-22-3-5-23(6-4-22)36-13-11-35(12-14-36)20(2)39;1-18(34)26-24(28-17-21-5-3-4-20-10-15-36-27(20)21)16-25(30-31-26)29-22-6-8-23(9-7-22)33-13-11-32(12-14-33)19(2)35;1-17(32)24-22(27-16-19-4-2-3-18-9-14-33-25(18)19)15-23(29-30-24)28-20-5-7-21(8-6-20)31-12-10-26-11-13-31;1-14(29)22-20(24-13-16-5-4-6-17(23)11-16)12-21(26-27-22)25-18-7-9-19(10-8-18)28(3)15(2)30;1-14(28)21-19(23-13-15-5-4-6-16(22)11-15)12-20(25-26-21)24-17-7-9-18(10-8-17)27(2)31(3,29)30/h3-10,15-16,18H,11-14,17H2,1-2H3,(H2,31,32,33);3-10,15-16H,11-14,17H2,1-2H3,(H2,28,29,30);2-9,14-15,26H,10-13,16H2,1H3,(H2,27,28,29);4-12H,13H2,1-3H3,(H2,24,25,26);4-12H,13H2,1-3H3,(H2,23,24,25).

What are the key properties of N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone?

N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone has a molecular weight of 2338.76 g/mol, XLogP of 21.33, 37 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylmethanesulfonamide;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(2-fluoro-5-imidazol-1-ylphenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-(4-piperazin-1-ylanilino)pyridazin-3-yl]ethanone is sourced from PubChem (CID 158249811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).