1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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

C112H121F4N29O10S2 — CID 157373744

About 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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

1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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 157373744) has the molecular formula C112H121F4N29O10S2 and a molecular weight of 2173.52 g/mol. Its IUPAC name is 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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: 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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: 157373744
• Molecular Formula: C112H121F4N29O10S2
• Molecular Weight: 2173.52 g/mol
• Exact Mass: 2171.92
• IUPAC Name: 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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(N3CCC(C(=O)N(C)C)CC3)cc2)cc1NCc1ccccc1F.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/C27H31FN6O2.C23H25FN4O3S.C22H23FN4O3S.C21H21N9O.C19H21FN6O/c1-18(35)26-24(29-17-20-6-4-5-7-23(20)28)16-25(31-32-26)30-21-8-10-22(11-9-21)34-14-12-19(13-15-34)27(36)33(2)3;1-15(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(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/h4-11,16,19H,12-15,17H2,1-3H3,(H2,29,30,31);5-13H,14H2,1-4H3,(H2,25,26,27);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: BKBNANDOTGPYGO-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 490.47 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 37
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2173.52
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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 157373744) is 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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(N3CCC(C(=O)N(C)C)CC3)cc2)cc1NCc1ccccc1F.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 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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 BKBNANDOTGPYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O2.C23H25FN4O3S.C22H23FN4O3S.C21H21N9O.C19H21FN6O/c1-18(35)26-24(29-17-20-6-4-5-7-23(20)28)16-25(31-32-26)30-21-8-10-22(11-9-21)34-14-12-19(13-15-34)27(36)33(2)3;1-15(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(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/h4-11,16,19H,12-15,17H2,1-3H3,(H2,29,30,31);5-13H,14H2,1-4H3,(H2,25,26,27);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 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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?

1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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 2173.52 g/mol, XLogP of 20.40, 37 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;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 157373744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).