ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate

C87H72F6N30O14 — CID 162292117

About ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate

ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate (PubChem CID 162292117) has the molecular formula C87H72F6N30O14 and a molecular weight of 1875.72 g/mol. Its IUPAC name is ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate
• PubChem CID: 162292117
• Molecular Formula: C87H72F6N30O14
• Molecular Weight: 1875.72 g/mol
• Exact Mass: 1874.57
• IUPAC Name: ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate
• SMILES: CCOC(=O)C1=C(CC(=O)c2ccc(-n3ccnc3)nn2)CCCCC1.COC(=O)c1cc2[nH]ncc2cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1nn(C)cc1NC(=O)c1ccc(-n2ccnc2)nn1.O=C(Nc1ccc2ccccc2c1C(O)(C(F)(F)F)C(F)(F)F)c1ccc(-n2ccnc2)nn1.O=C(Nc1ccccc1-c1noc(=O)[nH]1)c1ccc(-n2ccnc2)nn1
• InChI: InChI=1S/C21H13F6N5O2.C19H22N4O3.C17H13N7O3.C16H11N7O3.C14H13N7O3/c22-20(23,24)19(34,21(25,26)27)17-13-4-2-1-3-12(13)5-6-14(17)29-18(33)15-7-8-16(31-30-15)32-10-9-28-11-32;1-2-26-19(25)15-7-5-3-4-6-14(15)12-17(24)16-8-9-18(22-21-16)23-11-10-20-13-23;1-27-17(26)11-7-13-10(8-19-21-13)6-14(11)20-16(25)12-2-3-15(23-22-12)24-5-4-18-9-24;24-15(12-5-6-13(21-20-12)23-8-7-17-9-23)18-11-4-2-1-3-10(11)14-19-16(25)26-22-14;1-20-7-10(12(19-20)14(23)24-2)16-13(22)9-3-4-11(18-17-9)21-6-5-15-8-21/h1-11,34H,(H,29,33);8-11,13H,2-7,12H2,1H3;2-9H,1H3,(H,19,21)(H,20,25);1-9H,(H,18,24)(H,19,22,25);3-8H,1-2H3,(H,16,22)
• InChIKey: POMVKGGIOMSHLW-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 555.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1875.72
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate?

The IUPAC name of ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate (CID 162292117) is ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate.

What is the SMILES notation for ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate?

The canonical SMILES for ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate is CCOC(=O)C1=C(CC(=O)c2ccc(-n3ccnc3)nn2)CCCCC1.COC(=O)c1cc2[nH]ncc2cc1NC(=O)c1ccc(-n2ccnc2)nn1.COC(=O)c1nn(C)cc1NC(=O)c1ccc(-n2ccnc2)nn1.O=C(Nc1ccc2ccccc2c1C(O)(C(F)(F)F)C(F)(F)F)c1ccc(-n2ccnc2)nn1.O=C(Nc1ccccc1-c1noc(=O)[nH]1)c1ccc(-n2ccnc2)nn1.

What is the InChIKey of ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate?

The InChIKey is POMVKGGIOMSHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N5O2.C19H22N4O3.C17H13N7O3.C16H11N7O3.C14H13N7O3/c22-20(23,24)19(34,21(25,26)27)17-13-4-2-1-3-12(13)5-6-14(17)29-18(33)15-7-8-16(31-30-15)32-10-9-28-11-32;1-2-26-19(25)15-7-5-3-4-6-14(15)12-17(24)16-8-9-18(22-21-16)23-11-10-20-13-23;1-27-17(26)11-7-13-10(8-19-21-13)6-14(11)20-16(25)12-2-3-15(23-22-12)24-5-4-18-9-24;24-15(12-5-6-13(21-20-12)23-8-7-17-9-23)18-11-4-2-1-3-10(11)14-19-16(25)26-22-14;1-20-7-10(12(19-20)14(23)24-2)16-13(22)9-3-4-11(18-17-9)21-6-5-15-8-21/h1-11,34H,(H,29,33);8-11,13H,2-7,12H2,1H3;2-9H,1H3,(H,19,21)(H,20,25);1-9H,(H,18,24)(H,19,22,25);3-8H,1-2H3,(H,16,22).

What are the key properties of ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate?

ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate has a molecular weight of 1875.72 g/mol, XLogP of 10.71, 22 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 162292117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).