N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone

C116H114F11N25O10 — CID 159195534

About N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone

N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone (PubChem CID 159195534) has the molecular formula C116H114F11N25O10 and a molecular weight of 2227.33 g/mol. Its IUPAC name is N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone.

Molecular Properties

• Compound Name: N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone
• PubChem CID: 159195534
• Molecular Formula: C116H114F11N25O10
• Molecular Weight: 2227.33 g/mol
• Exact Mass: 2225.90
• IUPAC Name: N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone
• SMILES: CC(=O)c1nnc(Nc2ccc(N(C)C(=O)C3CC3)cc2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)c(F)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1c(F)cccc1F.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cc(F)ccc1F.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cccc(F)c1F
• InChI: InChI=1S/C24H23F2N5O2.C23H22F3N5O2.3C23H23F2N5O2/c1-14(32)23-20(27-13-16-4-3-5-19(25)22(16)26)12-21(29-30-23)28-17-8-10-18(11-9-17)31(2)24(33)15-6-7-15;1-14(32)23-19(27-13-15-3-2-4-17(24)22(15)26)12-21(29-30-23)28-16-5-6-20(18(25)11-16)31-7-9-33-10-8-31;1-15(31)23-21(26-14-16-12-17(24)2-7-20(16)25)13-22(28-29-23)27-18-3-5-19(6-4-18)30-8-10-32-11-9-30;1-15(31)23-21(26-14-18-19(24)3-2-4-20(18)25)13-22(28-29-23)27-16-5-7-17(8-6-16)30-9-11-32-12-10-30;1-15(31)23-20(26-14-16-3-2-4-19(24)22(16)25)13-21(28-29-23)27-17-5-7-18(8-6-17)30-9-11-32-12-10-30/h3-5,8-12,15H,6-7,13H2,1-2H3,(H2,27,28,29);2-6,11-12H,7-10,13H2,1H3,(H2,27,28,29);2-7,12-13H,8-11,14H2,1H3,(H2,26,27,28);2*2-8,13H,9-12,14H2,1H3,(H2,26,27,28)
• InChIKey: KOPPUFAMCFYMBK-UHFFFAOYSA-N
• XLogP: 21.42
• TPSA: 404.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2227.33
LogP ≤ 5	21.42
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

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-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?

The IUPAC name of N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone (CID 159195534) is N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone.

What is the SMILES notation for N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?

The canonical SMILES for N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2ccc(N(C)C(=O)C3CC3)cc2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)c(F)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1c(F)cccc1F.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cc(F)ccc1F.CC(=O)c1nnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1cccc(F)c1F.

What is the InChIKey of N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?

The InChIKey is KOPPUFAMCFYMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2.C23H22F3N5O2.3C23H23F2N5O2/c1-14(32)23-20(27-13-16-4-3-5-19(25)22(16)26)12-21(29-30-23)28-17-8-10-18(11-9-17)31(2)24(33)15-6-7-15;1-14(32)23-19(27-13-15-3-2-4-17(24)22(15)26)12-21(29-30-23)28-16-5-6-20(18(25)11-16)31-7-9-33-10-8-31;1-15(31)23-21(26-14-16-12-17(24)2-7-20(16)25)13-22(28-29-23)27-18-3-5-19(6-4-18)30-8-10-32-11-9-30;1-15(31)23-21(26-14-18-19(24)3-2-4-20(18)25)13-22(28-29-23)27-16-5-7-17(8-6-16)30-9-11-32-12-10-30;1-15(31)23-20(26-14-16-3-2-4-19(24)22(16)25)13-21(28-29-23)27-17-5-7-18(8-6-17)30-9-11-32-12-10-30/h3-5,8-12,15H,6-7,13H2,1-2H3,(H2,27,28,29);2-6,11-12H,7-10,13H2,1H3,(H2,27,28,29);2-7,12-13H,8-11,14H2,1H3,(H2,26,27,28);2*2-8,13H,9-12,14H2,1H3,(H2,26,27,28).

What are the key properties of N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone?

N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone has a molecular weight of 2227.33 g/mol, XLogP of 21.42, 36 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[6-acetyl-5-[(2,3-difluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylcyclopropanecarboxamide;1-[4-[(2,3-difluorophenyl)methylamino]-6-(3-fluoro-4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,5-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone;1-[4-[(2,6-difluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridazin-3-yl]ethanone is sourced from PubChem (CID 159195534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).