N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate

C98H76BrCl2F3N30O18 — CID 159588911

About N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate

N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate (PubChem CID 159588911) has the molecular formula C98H76BrCl2F3N30O18 and a molecular weight of 2169.68 g/mol. Its IUPAC name is N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate.

Molecular Properties

• Compound Name: N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
• PubChem CID: 159588911
• Molecular Formula: C98H76BrCl2F3N30O18
• Molecular Weight: 2169.68 g/mol
• Exact Mass: 2166.45
• IUPAC Name: N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
• SMILES: CCOC(=O)c1ccccc1CC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(C)c(Cl)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(Cl)c(Br)c(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccccc1NC(=O)c1ccc(-n2ccnc2)nn1.COc1ccc(C(=O)O)c(NC(=O)c2ccc(-n3ccnc3)nn2)c1.NC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1
• InChI: InChI=1S/C18H16N4O3.C17H14ClN5O3.C16H10BrClFN5O3.C16H13N5O4.C16H13N5O3.C15H10F2N6O2/c1-2-25-18(24)14-6-4-3-5-13(14)11-16(23)15-7-8-17(21-20-15)22-10-9-19-12-22;1-10-7-11(17(25)26-2)14(8-12(10)18)20-16(24)13-3-4-15(22-21-13)23-6-5-19-9-23;1-27-16(26)8-6-9(18)12(17)13(19)14(8)21-15(25)10-2-3-11(23-22-10)24-5-4-20-7-24;1-25-10-2-3-11(16(23)24)13(8-10)18-15(22)12-4-5-14(20-19-12)21-7-6-17-9-21;1-24-16(23)11-4-2-3-5-12(11)18-15(22)13-6-7-14(20-19-13)21-9-8-17-10-21;16-9-5-8(14(18)24)12(6-10(9)17)20-15(25)11-1-2-13(22-21-11)23-4-3-19-7-23/h3-10,12H,2,11H2,1H3;3-9H,1-2H3,(H,20,24);2-7H,1H3,(H,21,25);2-9H,1H3,(H,18,22)(H,23,24);2-10H,1H3,(H,18,22);1-7H,(H2,18,24)(H,20,25)
• InChIKey: MJZFSQCAOWAEQO-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 618.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2169.68
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate?

The IUPAC name of N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate (CID 159588911) is N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate.

What is the SMILES notation for N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate?

The canonical SMILES for N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1CC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(C)c(Cl)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(Cl)c(Br)c(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccccc1NC(=O)c1ccc(-n2ccnc2)nn1.COc1ccc(C(=O)O)c(NC(=O)c2ccc(-n3ccnc3)nn2)c1.NC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.

What is the InChIKey of N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate?

The InChIKey is MJZFSQCAOWAEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3.C17H14ClN5O3.C16H10BrClFN5O3.C16H13N5O4.C16H13N5O3.C15H10F2N6O2/c1-2-25-18(24)14-6-4-3-5-13(14)11-16(23)15-7-8-17(21-20-15)22-10-9-19-12-22;1-10-7-11(17(25)26-2)14(8-12(10)18)20-16(24)13-3-4-15(22-21-13)23-6-5-19-9-23;1-27-16(26)8-6-9(18)12(17)13(19)14(8)21-15(25)10-2-3-11(23-22-10)24-5-4-20-7-24;1-25-10-2-3-11(16(23)24)13(8-10)18-15(22)12-4-5-14(20-19-12)21-7-6-17-9-21;1-24-16(23)11-4-2-3-5-12(11)18-15(22)13-6-7-14(20-19-13)21-9-8-17-10-21;16-9-5-8(14(18)24)12(6-10(9)17)20-15(25)11-1-2-13(22-21-11)23-4-3-19-7-23/h3-10,12H,2,11H2,1H3;3-9H,1-2H3,(H,20,24);2-7H,1H3,(H,21,25);2-9H,1H3,(H,18,22)(H,23,24);2-10H,1H3,(H,18,22);1-7H,(H2,18,24)(H,20,25).

What are the key properties of N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate?

N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate has a molecular weight of 2169.68 g/mol, XLogP of 12.80, 27 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-carbamoyl-4,5-difluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoic acid;methyl 4-bromo-5-chloro-3-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 159588911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).