N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone

C107H112F4N28O10S2 — CID 159383501

About N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone

N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone (PubChem CID 159383501) has the molecular formula C107H112F4N28O10S2 and a molecular weight of 2090.38 g/mol. Its IUPAC name is N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone.

Molecular Properties

• Compound Name: N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone
• PubChem CID: 159383501
• Molecular Formula: C107H112F4N28O10S2
• Molecular Weight: 2090.38 g/mol
• Exact Mass: 2088.85
• IUPAC Name: N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone
• SMILES: CC(=O)c1nnc(Nc2ccc(C(C)(C)S(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(C(C)S(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N(C)C(C)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2cnn(C(C)C)c2)cc1NCc1cccc(F)c1.[C-]#[N+]c1ccc(N2CCC(Nc3cc(Nc4cnccn4)nnc3C(C)=O)CC2)nc1
• InChI: InChI=1S/C23H25FN4O3S.C22H22FN5O2.C22H23FN4O3S.C21H21N9O.C19H21FN6O/c1-15(29)22-20(25-14-16-6-5-7-18(24)12-16)13-21(27-28-22)26-19-10-8-17(9-11-19)23(2,3)32(4,30)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)22-20(24-13-16-5-4-6-18(23)11-16)12-21(26-27-22)25-19-9-7-17(8-10-19)15(2)31(3,29)30;1-14(31)21-17(11-18(28-29-21)27-19-13-23-7-8-24-19)26-15-5-9-30(10-6-15)20-4-3-16(22-2)12-25-20;1-12(2)26-11-16(10-22-26)23-18-8-17(19(13(3)27)25-24-18)21-9-14-5-4-6-15(20)7-14/h5-13H,14H2,1-4H3,(H2,25,26,27);4-12H,13H2,1-3H3,(H2,24,25,26);4-12,15H,13H2,1-3H3,(H2,24,25,26);3-4,7-8,11-13,15H,5-6,9-10H2,1H3,(H2,24,26,27,28);4-8,10-12H,9H2,1-3H3,(H2,21,23,24)
• InChIKey: LLEXWSCJLBTJQA-UHFFFAOYSA-N
• XLogP: 20.08
• TPSA: 487.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2090.38
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone?

The IUPAC name of N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone (CID 159383501) is N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)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;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone?

The canonical SMILES for N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2ccc(C(C)(C)S(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(C(C)S(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N(C)C(C)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2cnn(C(C)C)c2)cc1NCc1cccc(F)c1.[C-]#[N+]c1ccc(N2CCC(Nc3cc(Nc4cnccn4)nnc3C(C)=O)CC2)nc1.

What is the InChIKey of N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone?

The InChIKey is LLEXWSCJLBTJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S.C22H22FN5O2.C22H23FN4O3S.C21H21N9O.C19H21FN6O/c1-15(29)22-20(25-14-16-6-5-7-18(24)12-16)13-21(27-28-22)26-19-10-8-17(9-11-19)23(2,3)32(4,30)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)22-20(24-13-16-5-4-6-18(23)11-16)12-21(26-27-22)25-19-9-7-17(8-10-19)15(2)31(3,29)30;1-14(31)21-17(11-18(28-29-21)27-19-13-23-7-8-24-19)26-15-5-9-30(10-6-15)20-4-3-16(22-2)12-25-20;1-12(2)26-11-16(10-22-26)23-18-8-17(19(13(3)27)25-24-18)21-9-14-5-4-6-15(20)7-14/h5-13H,14H2,1-4H3,(H2,25,26,27);4-12H,13H2,1-3H3,(H2,24,25,26);4-12,15H,13H2,1-3H3,(H2,24,25,26);3-4,7-8,11-13,15H,5-6,9-10H2,1H3,(H2,24,26,27,28);4-8,10-12H,9H2,1-3H3,(H2,21,23,24).

What are the key properties of N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone?

N-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N-methylacetamide;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone has a molecular weight of 2090.38 g/mol, XLogP of 20.08, 36 rotatable bonds, 10 hydrogen bond donors, and 36 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;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(2-methylsulfonylpropan-2-yl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[(1-propan-2-ylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[[1-(5-isocyano-2-pyridinyl)piperidin-4-yl]amino]-6-(pyrazin-2-ylamino)pyridazin-3-yl]ethanone is sourced from PubChem (CID 159383501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).