methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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

C122H99ClF5N35O21 — CID 162075632

About methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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

methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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 (PubChem CID 162075632) has the molecular formula C122H99ClF5N35O21 and a molecular weight of 2521.80 g/mol. Its IUPAC name is methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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.

Molecular Properties

• Compound Name: methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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
• PubChem CID: 162075632
• Molecular Formula: C122H99ClF5N35O21
• Molecular Weight: 2521.80 g/mol
• Exact Mass: 2519.74
• IUPAC Name: methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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
• SMILES: CC(C)COC(=O)c1ccccc1NC(=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.COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(F)c(F)c1NC(=O)c1ccc(-n2ccnc2)nn1
• InChI: InChI=1S/C20H15N5O3.C19H19N5O3.C18H17N5O3.C17H14FN5O3.C16H12ClN5O3.2C16H11F2N5O3/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;1-13(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;1-25-16(24)11-3-2-10(17)8-13(11)19-15(23)12-4-5-14(21-20-12)22-7-6-18-9-22;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;1-26-16(25)9-2-3-10(17)13(18)14(9)20-15(24)11-4-5-12(22-21-11)23-7-6-19-8-23/h2-12H,1H3,(H,22,26);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);2-9H,1H3,(H,19,23);2*2-8H,1H3,(H,20,24)
• InChIKey: ZBQZWQYUTYQTSU-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 693.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 49
• Rotatable Bonds: 31
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2521.80
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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?

The IUPAC name of methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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 (CID 162075632) is methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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.

What is the SMILES notation for methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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?

The canonical SMILES for methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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 is CC(C)COC(=O)c1ccccc1NC(=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.COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(F)c(F)c1NC(=O)c1ccc(-n2ccnc2)nn1.

What is the InChIKey of methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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?

The InChIKey is ZBQZWQYUTYQTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3.C19H19N5O3.C18H17N5O3.C17H14FN5O3.C16H12ClN5O3.2C16H11F2N5O3/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;1-13(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;1-25-16(24)11-3-2-10(17)8-13(11)19-15(23)12-4-5-14(21-20-12)22-7-6-18-9-22;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;1-26-16(25)9-2-3-10(17)13(18)14(9)20-15(24)11-4-5-12(22-21-11)23-7-6-19-8-23/h2-12H,1H3,(H,22,26);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);2-9H,1H3,(H,19,23);2*2-8H,1H3,(H,20,24).

What are the key properties of methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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?

methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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 has a molecular weight of 2521.80 g/mol, XLogP of 16.31, 31 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-chloro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 3,4-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]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 is sourced from PubChem (CID 162075632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).