1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone

C121H125F10N27O10 — CID 157321913

About 1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone

1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone (PubChem CID 157321913) has the molecular formula C121H125F10N27O10 and a molecular weight of 2307.49 g/mol. Its IUPAC name is 1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone
• PubChem CID: 157321913
• Molecular Formula: C121H125F10N27O10
• Molecular Weight: 2307.49 g/mol
• Exact Mass: 2305.99
• IUPAC Name: 1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone
• SMILES: CC(=O)c1nnc(Nc2cc(F)c(N3CCOCC3)c(F)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cc(F)cc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cccc(F)c1.CCC(=O)N1CCN(c2ccc(Nc3cc(NCc4cccc(F)c4)c(C(C)=O)nn3)cc2)CC1.CCC(=O)N1CCN(c2ccc(Nc3cc(NCc4cccc(F)c4F)c(C(C)=O)nn3)cc2)CC1
• InChI: InChI=1S/C26H28F2N6O2.C26H29FN6O2.C23H21F4N5O2.C23H23F2N5O2.C23H24FN5O2/c1-3-24(36)34-13-11-33(12-14-34)20-9-7-19(8-10-20)30-23-15-22(26(17(2)35)32-31-23)29-16-18-5-4-6-21(27)25(18)28;1-3-25(35)33-13-11-32(12-14-33)22-9-7-21(8-10-22)29-24-16-23(26(18(2)34)31-30-24)28-17-19-5-4-6-20(27)15-19;1-13(33)22-19(28-12-14-3-2-4-16(24)21(14)27)11-20(30-31-22)29-15-9-17(25)23(18(26)10-15)32-5-7-34-8-6-32;1-15(31)23-21(26-14-16-10-17(24)12-18(25)11-16)13-22(28-29-23)27-19-2-4-20(5-3-19)30-6-8-32-9-7-30;1-16(30)23-21(25-15-17-3-2-4-18(24)13-17)14-22(27-28-23)26-19-5-7-20(8-6-19)29-9-11-31-12-10-29/h4-10,15H,3,11-14,16H2,1-2H3,(H2,29,30,31);4-10,15-16H,3,11-14,17H2,1-2H3,(H2,28,29,30);2-4,9-11H,5-8,12H2,1H3,(H2,28,29,30);2-5,10-13H,6-9,14H2,1H3,(H2,26,27,28);2-8,13-14H,9-12,15H2,1H3,(H2,25,26,27)
• InChIKey: BEGNBKXCSVYTEP-UHFFFAOYSA-N
• XLogP: 21.19
• TPSA: 419.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2307.49
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

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-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?

The IUPAC name of 1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone (CID 157321913) is 1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone.

What is the SMILES notation for 1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?

The canonical SMILES for 1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2cc(F)c(N3CCOCC3)c(F)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cc(F)cc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cccc(F)c1.CCC(=O)N1CCN(c2ccc(Nc3cc(NCc4cccc(F)c4)c(C(C)=O)nn3)cc2)CC1.CCC(=O)N1CCN(c2ccc(Nc3cc(NCc4cccc(F)c4F)c(C(C)=O)nn3)cc2)CC1.

What is the InChIKey of 1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?

The InChIKey is BEGNBKXCSVYTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O2.C26H29FN6O2.C23H21F4N5O2.C23H23F2N5O2.C23H24FN5O2/c1-3-24(36)34-13-11-33(12-14-34)20-9-7-19(8-10-20)30-23-15-22(26(17(2)35)32-31-23)29-16-18-5-4-6-21(27)25(18)28;1-3-25(35)33-13-11-32(12-14-33)22-9-7-21(8-10-22)29-24-16-23(26(18(2)34)31-30-24)28-17-19-5-4-6-20(27)15-19;1-13(33)22-19(28-12-14-3-2-4-16(24)21(14)27)11-20(30-31-22)29-15-9-17(25)23(18(26)10-15)32-5-7-34-8-6-32;1-15(31)23-21(26-14-16-10-17(24)12-18(25)11-16)13-22(28-29-23)27-19-2-4-20(5-3-19)30-6-8-32-9-7-30;1-16(30)23-21(25-15-17-3-2-4-18(24)13-17)14-22(27-28-23)26-19-5-7-20(8-6-19)29-9-11-31-12-10-29/h4-10,15H,3,11-14,16H2,1-2H3,(H2,29,30,31);4-10,15-16H,3,11-14,17H2,1-2H3,(H2,28,29,30);2-4,9-11H,5-8,12H2,1H3,(H2,28,29,30);2-5,10-13H,6-9,14H2,1H3,(H2,26,27,28);2-8,13-14H,9-12,15H2,1H3,(H2,25,26,27).

What are the key properties of 1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?

1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone has a molecular weight of 2307.49 g/mol, XLogP of 21.19, 37 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]piperazin-1-yl]propan-1-one;1-[6-(3,5-difluoro-4-morpholin-4-ylanilino)-4-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone is sourced from PubChem (CID 157321913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).