5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate

C48H32Cl4FN17O9 — CID 167557485

About 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate

5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate (PubChem CID 167557485) has the molecular formula C48H32Cl4FN17O9 and a molecular weight of 1151.70 g/mol. Its IUPAC name is 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate
• PubChem CID: 167557485
• Molecular Formula: C48H32Cl4FN17O9
• Molecular Weight: 1151.70 g/mol
• Exact Mass: 1149.13
• IUPAC Name: 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate
• SMILES: C#Cc1cc(NC(=O)c2ccc(-n3ccnc3)nn2)c(C(=O)OCC)cc1F.COC(=O)c1nc(Cl)c(Cl)cc1NC(=O)c1ccc(-c2ccn[nH]2)nn1.O=C(Nc1cc(Cl)c(Cl)nc1C(=O)O)c1ccc(-c2ccn[nH]2)nn1
• InChI: InChI=1S/C19H14FN5O3.C15H10Cl2N6O3.C14H8Cl2N6O3/c1-3-12-9-16(13(10-14(12)20)19(27)28-4-2)22-18(26)15-5-6-17(24-23-15)25-8-7-21-11-25;1-26-15(25)12-11(6-7(16)13(17)20-12)19-14(24)10-3-2-8(22-23-10)9-4-5-18-21-9;15-6-5-10(11(14(24)25)19-12(6)16)18-13(23)9-2-1-7(21-22-9)8-3-4-17-20-8/h1,5-11H,4H2,2H3,(H,22,26);2-6H,1H3,(H,18,21)(H,19,24);1-5H,(H,17,20)(H,18,23)(H,24,25)
• InChIKey: DEUUEDJJNJRZET-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 355.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1151.70
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate?

The IUPAC name of 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate (CID 167557485) is 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate.

What is the SMILES notation for 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate?

The canonical SMILES for 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate is C#Cc1cc(NC(=O)c2ccc(-n3ccnc3)nn2)c(C(=O)OCC)cc1F.COC(=O)c1nc(Cl)c(Cl)cc1NC(=O)c1ccc(-c2ccn[nH]2)nn1.O=C(Nc1cc(Cl)c(Cl)nc1C(=O)O)c1ccc(-c2ccn[nH]2)nn1.

What is the InChIKey of 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate?

The InChIKey is DEUUEDJJNJRZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3.C15H10Cl2N6O3.C14H8Cl2N6O3/c1-3-12-9-16(13(10-14(12)20)19(27)28-4-2)22-18(26)15-5-6-17(24-23-15)25-8-7-21-11-25;1-26-15(25)12-11(6-7(16)13(17)20-12)19-14(24)10-3-2-8(22-23-10)9-4-5-18-21-9;15-6-5-10(11(14(24)25)19-12(6)16)18-13(23)9-2-1-7(21-22-9)8-3-4-17-20-8/h1,5-11H,4H2,2H3,(H,22,26);2-6H,1H3,(H,18,21)(H,19,24);1-5H,(H,17,20)(H,18,23)(H,24,25).

What are the key properties of 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate?

5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate has a molecular weight of 1151.70 g/mol, XLogP of 7.34, 13 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylic acid;ethyl 4-ethynyl-5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5,6-dichloro-3-[[6-(1H-pyrazol-5-yl)pyridazine-3-carbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 167557485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).