tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride

C84H96Cl2F4N16O18 — CID 162069710

About tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride

tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride (PubChem CID 162069710) has the molecular formula C84H96Cl2F4N16O18 and a molecular weight of 1764.68 g/mol. Its IUPAC name is tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride
• PubChem CID: 162069710
• Molecular Formula: C84H96Cl2F4N16O18
• Molecular Weight: 1764.68 g/mol
• Exact Mass: 1762.64
• IUPAC Name: tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride
• SMILES: CC(Oc1ccc2ncc(C(=O)O)n2n1)c1cc(F)ccc1OCCN(C)C(=O)OC(C)(C)C.CCOC(=O)c1cnc2ccc(Cl)nn12.CCc1cc(F)ccc1OCCN(C)C(=O)OC(C)(C)C.CNCCOc1ccc(F)cc1C(C)Oc1ccc2ncc(C(=O)O)n2n1.C[C@H]1Oc2ccc3ncc(n3n2)C(=O)N(C)CCOc2ccc(F)cc21.Cl
• InChI: InChI=1S/C23H27FN4O6.C18H19FN4O4.C18H17FN4O3.C16H24FNO3.C9H8ClN3O2.ClH/c1-14(33-20-9-8-19-25-13-17(21(29)30)28(19)26-20)16-12-15(24)6-7-18(16)32-11-10-27(5)22(31)34-23(2,3)4;1-11(13-9-12(19)3-4-15(13)26-8-7-20-2)27-17-6-5-16-21-10-14(18(24)25)23(16)22-17;1-11-13-9-12(19)3-4-15(13)25-8-7-22(2)18(24)14-10-20-16-5-6-17(26-11)21-23(14)16;1-6-12-11-13(17)7-8-14(12)20-10-9-18(5)15(19)21-16(2,3)4;1-2-15-9(14)6-5-11-8-4-3-7(10)12-13(6)8;/h6-9,12-14H,10-11H2,1-5H3,(H,29,30);3-6,9-11,20H,7-8H2,1-2H3,(H,24,25);3-6,9-11H,7-8H2,1-2H3;7-8,11H,6,9-10H2,1-5H3;3-5H,2H2,1H3;1H/t;;11-;;;/m..1.../s1
• InChIKey: JFPOCYGOSIWRDR-VEDPYOEISA-N
• XLogP: 14.34
• TPSA: 377.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1764.68
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride?

The IUPAC name of tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride (CID 162069710) is tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride.

What is the SMILES notation for tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride?

The canonical SMILES for tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride is CC(Oc1ccc2ncc(C(=O)O)n2n1)c1cc(F)ccc1OCCN(C)C(=O)OC(C)(C)C.CCOC(=O)c1cnc2ccc(Cl)nn12.CCc1cc(F)ccc1OCCN(C)C(=O)OC(C)(C)C.CNCCOc1ccc(F)cc1C(C)Oc1ccc2ncc(C(=O)O)n2n1.C[C@H]1Oc2ccc3ncc(n3n2)C(=O)N(C)CCOc2ccc(F)cc21.Cl.

What is the InChIKey of tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride?

The InChIKey is JFPOCYGOSIWRDR-VEDPYOEISA-N. The full InChI is InChI=1S/C23H27FN4O6.C18H19FN4O4.C18H17FN4O3.C16H24FNO3.C9H8ClN3O2.ClH/c1-14(33-20-9-8-19-25-13-17(21(29)30)28(19)26-20)16-12-15(24)6-7-18(16)32-11-10-27(5)22(31)34-23(2,3)4;1-11(13-9-12(19)3-4-15(13)26-8-7-20-2)27-17-6-5-16-21-10-14(18(24)25)23(16)22-17;1-11-13-9-12(19)3-4-15(13)25-8-7-22(2)18(24)14-10-20-16-5-6-17(26-11)21-23(14)16;1-6-12-11-13(17)7-8-14(12)20-10-9-18(5)15(19)21-16(2,3)4;1-2-15-9(14)6-5-11-8-4-3-7(10)12-13(6)8;/h6-9,12-14H,10-11H2,1-5H3,(H,29,30);3-6,9-11,20H,7-8H2,1-2H3,(H,24,25);3-6,9-11H,7-8H2,1-2H3;7-8,11H,6,9-10H2,1-5H3;3-5H,2H2,1H3;1H/t;;11-;;;/m..1.../s1.

What are the key properties of tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride?

tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride has a molecular weight of 1764.68 g/mol, XLogP of 14.34, 23 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-(2-ethyl-4-fluorophenoxy)ethyl]-N-methylcarbamate;ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate;(3R)-6-fluoro-3,13-dimethyl-2,10-dioxa-13,17,21,22-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15,17,19-heptaen-14-one;6-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;6-[1-[5-fluoro-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]ethoxy]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 162069710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).