methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate

C109H92F5N29O18 — CID 158491107

About methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate

methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate (PubChem CID 158491107) has the molecular formula C109H92F5N29O18 and a molecular weight of 2191.11 g/mol. Its IUPAC name is methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate.

Molecular Properties

• Compound Name: methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate
• PubChem CID: 158491107
• Molecular Formula: C109H92F5N29O18
• Molecular Weight: 2191.11 g/mol
• Exact Mass: 2189.71
• IUPAC Name: methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate
• SMILES: CC(C)COC(=O)c1ccccc1NC(=O)c1ccc(-n2ccnc2)nn1.CC(C)OC(=O)c1cc(F)c(F)cc1CC(=O)c1ccc(-n2ccnc2)nn1.CCc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)c(C(=O)OC)c1.COC(=O)c1cc(F)c(C)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(F)cc(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(-n2ccnc2)nn1
• InChI: InChI=1S/C20H15N5O3.C19H16F2N4O3.C19H19N5O3.C18H17N5O3.C17H14FN5O3.C16H11F2N5O3/c1-28-20(27)15-10-13-4-2-3-5-14(13)11-17(15)22-19(26)16-6-7-18(24-23-16)25-9-8-21-12-25;1-11(2)28-19(27)13-9-15(21)14(20)7-12(13)8-17(26)16-3-4-18(24-23-16)25-6-5-22-10-25;1-13(2)11-27-19(26)14-5-3-4-6-15(14)21-18(25)16-7-8-17(23-22-16)24-10-9-20-12-24;1-3-12-4-5-14(13(10-12)18(25)26-2)20-17(24)15-6-7-16(22-21-15)23-9-8-19-11-23;1-10-7-14(11(8-12(10)18)17(25)26-2)20-16(24)13-3-4-15(22-21-13)23-6-5-19-9-23;1-26-16(25)10-6-9(17)7-11(18)14(10)20-15(24)12-2-3-13(22-21-12)23-5-4-19-8-23/h2-12H,1H3,(H,22,26);3-7,9-11H,8H2,1-2H3;3-10,12-13H,11H2,1-2H3,(H,21,25);4-11H,3H2,1-2H3,(H,20,24);3-9H,1-2H3,(H,20,24);2-8H,1H3,(H,20,24)
• InChIKey: HISAVDURFLYETM-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 581.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2191.11
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate?

The IUPAC name of methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate (CID 158491107) is methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate.

What is the SMILES notation for methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate?

The canonical SMILES for methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate is CC(C)COC(=O)c1ccccc1NC(=O)c1ccc(-n2ccnc2)nn1.CC(C)OC(=O)c1cc(F)c(F)cc1CC(=O)c1ccc(-n2ccnc2)nn1.CCc1ccc(NC(=O)c2ccc(-n3ccnc3)nn2)c(C(=O)OC)c1.COC(=O)c1cc(F)c(C)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(F)cc(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(-n2ccnc2)nn1.

What is the InChIKey of methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate?

The InChIKey is HISAVDURFLYETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3.C19H16F2N4O3.C19H19N5O3.C18H17N5O3.C17H14FN5O3.C16H11F2N5O3/c1-28-20(27)15-10-13-4-2-3-5-14(13)11-17(15)22-19(26)16-6-7-18(24-23-16)25-9-8-21-12-25;1-11(2)28-19(27)13-9-15(21)14(20)7-12(13)8-17(26)16-3-4-18(24-23-16)25-6-5-22-10-25;1-13(2)11-27-19(26)14-5-3-4-6-15(14)21-18(25)16-7-8-17(23-22-16)24-10-9-20-12-24;1-3-12-4-5-14(13(10-12)18(25)26-2)20-17(24)15-6-7-16(22-21-15)23-9-8-19-11-23;1-10-7-14(11(8-12(10)18)17(25)26-2)20-16(24)13-3-4-15(22-21-13)23-6-5-19-9-23;1-26-16(25)10-6-9(17)7-11(18)14(10)20-15(24)12-2-3-13(22-21-12)23-5-4-19-8-23/h2-12H,1H3,(H,22,26);3-7,9-11H,8H2,1-2H3;3-10,12-13H,11H2,1-2H3,(H,21,25);4-11H,3H2,1-2H3,(H,20,24);3-9H,1-2H3,(H,20,24);2-8H,1H3,(H,20,24).

What are the key properties of methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate?

methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate has a molecular weight of 2191.11 g/mol, XLogP of 14.90, 29 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylate;2-methylpropyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;propan-2-yl 4,5-difluoro-2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]benzoate is sourced from PubChem (CID 158491107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).