1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone

C118H125F5N24O13S3 — CID 159713195

About 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone

1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone (PubChem CID 159713195) has the molecular formula C118H125F5N24O13S3 and a molecular weight of 2278.64 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-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]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-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone
• PubChem CID: 159713195
• Molecular Formula: C118H125F5N24O13S3
• Molecular Weight: 2278.64 g/mol
• Exact Mass: 2276.89
• IUPAC Name: 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone
• SMILES: CC(=O)c1nnc(Nc2ccc(C(C)S(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(CS(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCC(C(=O)N(C)C)CC3)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCC(C(=O)N(C)C)CC3)cc2)cc1NCc1ccccc1F.CC(=O)c1nnc(Nc2ccc3c(c2)CS(=O)(=O)C3)cc1NCc1cccc(F)c1
• InChI: InChI=1S/2C27H31FN6O2.C22H23FN4O3S.C21H19FN4O3S.C21H21FN4O3S/c1-18(35)26-24(29-17-19-5-4-6-21(28)15-19)16-25(31-32-26)30-22-7-9-23(10-8-22)34-13-11-20(12-14-34)27(36)33(2)3;1-18(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;1-14(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;1-13(27)21-19(23-10-14-3-2-4-17(22)7-14)9-20(25-26-21)24-18-6-5-15-11-30(28,29)12-16(15)8-18;1-14(27)21-19(23-12-16-4-3-5-17(22)10-16)11-20(25-26-21)24-18-8-6-15(7-9-18)13-30(2,28)29/h4-10,15-16,20H,11-14,17H2,1-3H3,(H2,29,30,31);4-11,16,19H,12-15,17H2,1-3H3,(H2,29,30,31);4-12,15H,13H2,1-3H3,(H2,24,25,26);2-9H,10-12H2,1H3,(H2,23,24,25);3-11H,12-13H2,1-2H3,(H2,23,24,25)
• InChIKey: MZCGMPJRVKYIAN-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 484.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 38
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2278.64
LogP ≤ 5	20.56
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-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]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-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone (CID 159713195) is 1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]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-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]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-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2ccc(C(C)S(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(CS(C)(=O)=O)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCC(C(=O)N(C)C)CC3)cc2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2ccc(N3CCC(C(=O)N(C)C)CC3)cc2)cc1NCc1ccccc1F.CC(=O)c1nnc(Nc2ccc3c(c2)CS(=O)(=O)C3)cc1NCc1cccc(F)c1.

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-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone?

The InChIKey is MZCGMPJRVKYIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31FN6O2.C22H23FN4O3S.C21H19FN4O3S.C21H21FN4O3S/c1-18(35)26-24(29-17-19-5-4-6-21(28)15-19)16-25(31-32-26)30-22-7-9-23(10-8-22)34-13-11-20(12-14-34)27(36)33(2)3;1-18(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;1-14(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;1-13(27)21-19(23-10-14-3-2-4-17(22)7-14)9-20(25-26-21)24-18-6-5-15-11-30(28,29)12-16(15)8-18;1-14(27)21-19(23-12-16-4-3-5-17(22)10-16)11-20(25-26-21)24-18-8-6-15(7-9-18)13-30(2,28)29/h4-10,15-16,20H,11-14,17H2,1-3H3,(H2,29,30,31);4-11,16,19H,12-15,17H2,1-3H3,(H2,29,30,31);4-12,15H,13H2,1-3H3,(H2,24,25,26);2-9H,10-12H2,1H3,(H2,23,24,25);3-11H,12-13H2,1-2H3,(H2,23,24,25).

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-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone?

1-[4-[[6-acetyl-5-[(2-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[4-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone has a molecular weight of 2278.64 g/mol, XLogP of 20.56, 38 rotatable bonds, 10 hydrogen bond donors, and 35 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-[[6-acetyl-5-[(3-fluorophenyl)methylamino]pyridazin-3-yl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide;1-[6-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(1-methylsulfonylethyl)anilino]pyridazin-3-yl]ethanone;1-[4-[(3-fluorophenyl)methylamino]-6-[4-(methylsulfonylmethyl)anilino]pyridazin-3-yl]ethanone is sourced from PubChem (CID 159713195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).