2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate

C134H107F4N41O24 — CID 159813683

About 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate

2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate (PubChem CID 159813683) has the molecular formula C134H107F4N41O24 and a molecular weight of 2751.58 g/mol. Its IUPAC name is 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate.

Molecular Properties

• Compound Name: 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate
• PubChem CID: 159813683
• Molecular Formula: C134H107F4N41O24
• Molecular Weight: 2751.58 g/mol
• Exact Mass: 2749.83
• IUPAC Name: 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate
• SMILES: COC(=O)c1cc(C)c(C)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(F)ccc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(NC(=O)c2ccc(-n3ccnc3)nn2)cc(F)c1F.COC(=O)c1cc(OC)ccc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(C#N)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(C)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.Cc1cc2nc(-c3ccc(-n4ccnc4)nn3)oc(=O)c2cc1C
• InChI: InChI=1S/C18H17N5O3.C17H12N6O3.C17H15N5O4.C17H15N5O3.C17H13N5O2.C16H11F2N5O3.2C16H12FN5O3/c1-11-8-13(18(25)26-3)15(9-12(11)2)20-17(24)14-4-5-16(22-21-14)23-7-6-19-10-23;1-26-17(25)12-3-2-11(9-18)8-14(12)20-16(24)13-4-5-15(22-21-13)23-7-6-19-10-23;1-25-11-3-4-13(12(9-11)17(24)26-2)19-16(23)14-5-6-15(21-20-14)22-8-7-18-10-22;1-11-3-4-12(17(24)25-2)14(9-11)19-16(23)13-5-6-15(21-20-13)22-8-7-18-10-22;1-10-7-12-14(8-11(10)2)19-16(24-17(12)23)13-3-4-15(21-20-13)22-6-5-18-9-22;1-26-16(25)10-6-9(7-11(17)14(10)18)20-15(24)12-2-3-13(22-21-12)23-5-4-19-8-23;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;1-25-16(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/h4-10H,1-3H3,(H,20,24);2-8,10H,1H3,(H,20,24);3-10H,1-2H3,(H,19,23);3-10H,1-2H3,(H,19,23);3-9H,1-2H3;2-8H,1H3,(H,20,24);2*2-9H,1H3,(H,19,23)
• InChIKey: NLISGDSCMKWLNH-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 812.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 58
• Rotatable Bonds: 31
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2751.58
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate?

The IUPAC name of 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate (CID 159813683) is 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate.

What is the SMILES notation for 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate?

The canonical SMILES for 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate is COC(=O)c1cc(C)c(C)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(F)ccc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1cc(NC(=O)c2ccc(-n3ccnc3)nn2)cc(F)c1F.COC(=O)c1cc(OC)ccc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(C#N)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(C)cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1ccc(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.Cc1cc2nc(-c3ccc(-n4ccnc4)nn3)oc(=O)c2cc1C.

What is the InChIKey of 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate?

The InChIKey is NLISGDSCMKWLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3.C17H12N6O3.C17H15N5O4.C17H15N5O3.C17H13N5O2.C16H11F2N5O3.2C16H12FN5O3/c1-11-8-13(18(25)26-3)15(9-12(11)2)20-17(24)14-4-5-16(22-21-14)23-7-6-19-10-23;1-26-17(25)12-3-2-11(9-18)8-14(12)20-16(24)13-4-5-15(22-21-13)23-7-6-19-10-23;1-25-11-3-4-13(12(9-11)17(24)26-2)19-16(23)14-5-6-15(21-20-14)22-8-7-18-10-22;1-11-3-4-12(17(24)25-2)14(9-11)19-16(23)13-5-6-15(21-20-13)22-8-7-18-10-22;1-10-7-12-14(8-11(10)2)19-16(24-17(12)23)13-3-4-15(21-20-13)22-6-5-18-9-22;1-26-16(25)10-6-9(7-11(17)14(10)18)20-15(24)12-2-3-13(22-21-12)23-5-4-19-8-23;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;1-25-16(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/h4-10H,1-3H3,(H,20,24);2-8,10H,1H3,(H,20,24);3-10H,1-2H3,(H,19,23);3-10H,1-2H3,(H,19,23);3-9H,1-2H3;2-8H,1H3,(H,20,24);2*2-9H,1H3,(H,19,23).

What are the key properties of 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate?

2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate has a molecular weight of 2751.58 g/mol, XLogP of 15.72, 31 rotatable bonds, 7 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-imidazol-1-ylpyridazin-3-yl)-6,7-dimethyl-3,1-benzoxazin-4-one;methyl 4-cyano-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2,3-difluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,5-dimethylbenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methoxybenzoate;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoate is sourced from PubChem (CID 159813683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).