N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one

C131H147FN32O20S7 — CID 159879360

About N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one

N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one (PubChem CID 159879360) has the molecular formula C131H147FN32O20S7 and a molecular weight of 2733.29 g/mol. Its IUPAC name is N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one.

Molecular Properties

• Compound Name: N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one
• PubChem CID: 159879360
• Molecular Formula: C131H147FN32O20S7
• Molecular Weight: 2733.29 g/mol
• Exact Mass: 2730.95
• IUPAC Name: N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NC3CCCCC3)CC2)cc1.CN1CCN(c2c(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)cnn(-c3ccccc3)c2=O)CC1.CN1CCN(c2c(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cnn(-c3ccccc3)c2=O)CC1.CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCc3cccs3)CC2)cc1.O=c1c(NCCCn2ccnc2)c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cnn1-c1ccccc1
• InChI: InChI=1S/C28H34N6O4S.C26H28FN7O3S.C26H29N7O3S.C26H27N5O5S3.C25H29N7O5S/c1-21(35)30-23-12-14-25(15-13-23)39(37,38)33-18-16-32(17-19-33)26-20-29-34(24-10-6-3-7-11-24)28(36)27(26)31-22-8-4-2-5-9-22;27-21-7-9-23(10-8-21)38(36,37)33-17-15-32(16-18-33)24-19-30-34(22-5-2-1-3-6-22)26(35)25(24)29-11-4-13-31-14-12-28-20-31;1-29-10-12-31(13-11-29)25-24(20-28-33(26(25)34)22-7-3-2-4-8-22)30-14-16-32(17-15-30)37(35,36)23-9-5-6-21(18-23)19-27;1-38(33,34)22-9-11-23(12-10-22)39(35,36)30-15-13-29(14-16-30)24-19-28-31(20-6-3-2-4-7-20)26(32)25(24)27-18-21-8-5-17-37-21;1-27-10-12-29(13-11-27)24-23(19-26-31(25(24)33)20-6-3-2-4-7-20)28-14-16-30(17-15-28)38(36,37)22-9-5-8-21(18-22)32(34)35/h3,6-7,10-15,20,22,31H,2,4-5,8-9,16-19H2,1H3,(H,30,35);1-3,5-10,12,14,19-20,29H,4,11,13,15-18H2;2-9,18,20H,10-17H2,1H3;2-12,17,19,27H,13-16,18H2,1H3;2-9,18-19H,10-17H2,1H3
• InChIKey: NTIFZJWYOWSHBS-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 574.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 46
• Rotatable Bonds: 35
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2733.29
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one?

The IUPAC name of N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one (CID 159879360) is N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one.

What is the SMILES notation for N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one?

The canonical SMILES for N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NC3CCCCC3)CC2)cc1.CN1CCN(c2c(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)cnn(-c3ccccc3)c2=O)CC1.CN1CCN(c2c(N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cnn(-c3ccccc3)c2=O)CC1.CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCc3cccs3)CC2)cc1.O=c1c(NCCCn2ccnc2)c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cnn1-c1ccccc1.

What is the InChIKey of N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one?

The InChIKey is NTIFZJWYOWSHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4S.C26H28FN7O3S.C26H29N7O3S.C26H27N5O5S3.C25H29N7O5S/c1-21(35)30-23-12-14-25(15-13-23)39(37,38)33-18-16-32(17-19-33)26-20-29-34(24-10-6-3-7-11-24)28(36)27(26)31-22-8-4-2-5-9-22;27-21-7-9-23(10-8-21)38(36,37)33-17-15-32(16-18-33)24-19-30-34(22-5-2-1-3-6-22)26(35)25(24)29-11-4-13-31-14-12-28-20-31;1-29-10-12-31(13-11-29)25-24(20-28-33(26(25)34)22-7-3-2-4-8-22)30-14-16-32(17-15-30)37(35,36)23-9-5-6-21(18-23)19-27;1-38(33,34)22-9-11-23(12-10-22)39(35,36)30-15-13-29(14-16-30)24-19-28-31(20-6-3-2-4-7-20)26(32)25(24)27-18-21-8-5-17-37-21;1-27-10-12-29(13-11-27)24-23(19-26-31(25(24)33)20-6-3-2-4-7-20)28-14-16-30(17-15-28)38(36,37)22-9-5-8-21(18-22)32(34)35/h3,6-7,10-15,20,22,31H,2,4-5,8-9,16-19H2,1H3,(H,30,35);1-3,5-10,12,14,19-20,29H,4,11,13,15-18H2;2-9,18,20H,10-17H2,1H3;2-12,17,19,27H,13-16,18H2,1H3;2-9,18-19H,10-17H2,1H3.

What are the key properties of N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one?

N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one has a molecular weight of 2733.29 g/mol, XLogP of 11.62, 35 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[5-(cyclohexylamino)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylphenyl]acetamide;5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(3-imidazol-1-ylpropylamino)-2-phenylpyridazin-3-one;4-(4-methylpiperazin-1-yl)-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one;3-[4-[5-(4-methylpiperazin-1-yl)-6-oxo-1-phenylpyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile;5-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-2-phenyl-4-(thiophen-2-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 159879360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).