4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate

C131H97Cl3F12N40O24 — CID 160975533

About 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate

4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate (PubChem CID 160975533) has the molecular formula C131H97Cl3F12N40O24 and a molecular weight of 2949.81 g/mol. Its IUPAC name is 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate.

Molecular Properties

• Compound Name: 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate
• PubChem CID: 160975533
• Molecular Formula: C131H97Cl3F12N40O24
• Molecular Weight: 2949.81 g/mol
• Exact Mass: 2946.65
• IUPAC Name: 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate
• SMILES: CC(F)(F)C(O)(c1ccccc1NC(=O)c1ccc(-n2ccnc2)nn1)C(F)(F)F.COC(=O)c1cc(C)ccc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(OC)cc1NC(=O)c1ccc(-n2ccnc2)nn1.Cc1cc(C(=O)O)c(NC(=O)c2ccc(-n3ccnc3)nn2)cc1C(F)(F)F.O=C(Nc1cc(Cl)c(Cl)cc1C(=O)O)c1ccc(-n2ccnc2)nn1.O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-n2ccnc2)nn1
• InChI: InChI=1S/C18H14F5N5O2.C17H12F3N5O3.C17H15N5O4.C17H15N5O3.C16H12ClN5O3.C16H11F2N5O3.C15H9Cl2N5O3.C15H9F2N5O3/c1-16(19,20)17(30,18(21,22)23)11-4-2-3-5-12(11)25-15(29)13-6-7-14(27-26-13)28-9-8-24-10-28;1-9-6-10(16(27)28)13(7-11(9)17(18,19)20)22-15(26)12-2-3-14(24-23-12)25-5-4-21-8-25;1-25-11-3-4-12(17(24)26-2)14(9-11)19-16(23)13-5-6-15(21-20-13)22-8-7-18-10-22;1-11-3-4-13(12(9-11)17(24)25-2)19-16(23)14-5-6-15(21-20-14)22-8-7-18-10-22;1-25-16(24)11-8-10(17)2-3-12(11)19-15(23)13-4-5-14(21-20-13)22-7-6-18-9-22;1-26-16(25)9-6-10(17)11(18)7-13(9)20-15(24)12-2-3-14(22-21-12)23-5-4-19-8-23;2*16-9-5-8(15(24)25)12(6-10(9)17)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h2-10,30H,1H3,(H,25,29);2-8H,1H3,(H,22,26)(H,27,28);3-10H,1-2H3,(H,19,23);3-10H,1-2H3,(H,19,23);2-9H,1H3,(H,19,23);2-8H,1H3,(H,20,24);2*1-7H,(H,19,23)(H,24,25)
• InChIKey: SYUVMCKPRQXAHL-UHFFFAOYSA-N
• XLogP: 19.12
• TPSA: 828.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 53
• Rotatable Bonds: 34
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2949.81
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate?

The IUPAC name of 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate (CID 160975533) is 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate.

What is the SMILES notation for 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate?

The canonical SMILES for 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate is CC(F)(F)C(O)(c1ccccc1NC(=O)c1ccc(-n2ccnc2)nn1)C(F)(F)F.COC(=O)c1cc(C)ccc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(OC)cc1NC(=O)c1ccc(-n2ccnc2)nn1.Cc1cc(C(=O)O)c(NC(=O)c2ccc(-n3ccnc3)nn2)cc1C(F)(F)F.O=C(Nc1cc(Cl)c(Cl)cc1C(=O)O)c1ccc(-n2ccnc2)nn1.O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccc(-n2ccnc2)nn1.

What is the InChIKey of 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate?

The InChIKey is SYUVMCKPRQXAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N5O2.C17H12F3N5O3.C17H15N5O4.C17H15N5O3.C16H12ClN5O3.C16H11F2N5O3.C15H9Cl2N5O3.C15H9F2N5O3/c1-16(19,20)17(30,18(21,22)23)11-4-2-3-5-12(11)25-15(29)13-6-7-14(27-26-13)28-9-8-24-10-28;1-9-6-10(16(27)28)13(7-11(9)17(18,19)20)22-15(26)12-2-3-14(24-23-12)25-5-4-21-8-25;1-25-11-3-4-12(17(24)26-2)14(9-11)19-16(23)13-5-6-15(21-20-13)22-8-7-18-10-22;1-11-3-4-13(12(9-11)17(24)25-2)19-16(23)14-5-6-15(21-20-14)22-8-7-18-10-22;1-25-16(24)11-8-10(17)2-3-12(11)19-15(23)13-4-5-14(21-20-13)22-7-6-18-9-22;1-26-16(25)9-6-10(17)11(18)7-13(9)20-15(24)12-2-3-14(22-21-12)23-5-4-19-8-23;2*16-9-5-8(15(24)25)12(6-10(9)17)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h2-10,30H,1H3,(H,25,29);2-8H,1H3,(H,22,26)(H,27,28);3-10H,1-2H3,(H,19,23);3-10H,1-2H3,(H,19,23);2-9H,1H3,(H,19,23);2-8H,1H3,(H,20,24);2*1-7H,(H,19,23)(H,24,25).

What are the key properties of 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate?

4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate has a molecular weight of 2949.81 g/mol, XLogP of 19.12, 34 rotatable bonds, 12 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dichloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;6-imidazol-1-yl-N-[2-(1,1,1,3,3-pentafluoro-2-hydroxybutan-2-yl)phenyl]pyridazine-3-carboxamide;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methyl-4-(trifluoromethyl)benzoic acid;methyl 5-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate is sourced from PubChem (CID 160975533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).