azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate

C129H168Br2ClF15IN19O26Zn — CID 160552288

About azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate

azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate (PubChem CID 160552288) has the molecular formula C129H168Br2ClF15IN19O26Zn and a molecular weight of 3073.39 g/mol. Its IUPAC name is azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate.

Molecular Properties

• Compound Name: azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate
• PubChem CID: 160552288
• Molecular Formula: C129H168Br2ClF15IN19O26Zn
• Molecular Weight: 3073.39 g/mol
• Exact Mass: 3067.86
• IUPAC Name: azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate
• SMILES: CC(C)(C)OC(=O)c1cn(C[C@H](F)CC(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)c2ccc(I)nn2)nn1.COC(=O)Cc1cc(OC2CC(F)(F)C2)cc(C)n1.Cc1cc(F)cc(Br)n1.Cc1cc(OC2CC(F)(F)C2)cc(Br)n1.Cc1cc(OC2CC(F)(F)C2)cc(CC(=O)Nc2ccc(C(C[C@@H](F)Cn3cc(C(=O)OC(C)(C)C)nn3)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn2)n1.Cc1cc(OC2CC(F)(F)C2)cc(CC(=O)OC(C)(C)C)n1.Cc1cc(OC2CC(F)(F)C2)cc(CC(N)=O)n1.Cl[Zn+].N.OC1CC(F)(F)C1.[CH2-]C(=O)OC(C)(C)C
• InChI: InChI=1S/C37H48F3N7O8.C25H35FIN5O6.C16H21F2NO3.C13H15F2NO3.C12H14F2N2O2.C10H10BrF2NO.C6H5BrFN.C6H11O2.C4H6F2O.ClH.H3N.Zn/c1-21-13-24(52-25-17-36(39,40)18-25)14-23(41-21)15-29(48)42-28-12-11-27(44-45-28)37(31(50)54-34(5,6)7,32(51)55-35(8,9)10)16-22(38)19-47-20-26(43-46-47)30(49)53-33(2,3)4;1-22(2,3)36-19(33)16-14-32(31-28-16)13-15(26)12-25(20(34)37-23(4,5)6,21(35)38-24(7,8)9)17-10-11-18(27)30-29-17;1-10-5-12(21-13-8-16(17,18)9-13)6-11(19-10)7-14(20)22-15(2,3)4;1-8-3-10(19-11-6-13(14,15)7-11)4-9(16-8)5-12(17)18-2;1-7-2-9(3-8(16-7)4-11(15)17)18-10-5-12(13,14)6-10;1-6-2-7(3-9(11)14-6)15-8-4-10(12,13)5-8;1-4-2-5(8)3-6(7)9-4;1-5(7)8-6(2,3)4;5-4(6)1-3(7)2-4;;;/h11-14,20,22,25H,15-19H2,1-10H3,(H,42,45,48);10-11,14-15H,12-13H2,1-9H3;5-6,13H,7-9H2,1-4H3;3-4,11H,5-7H2,1-2H3;2-3,10H,4-6H2,1H3,(H2,15,17);2-3,8H,4-5H2,1H3;2-3H,1H3;1H2,2-4H3;3,7H,1-2H2;1H;1H3;/q;;;;;;;-1;;;;+2/p-1/t22-;15-;;;;;;;;;;/m11........../s1
• InChIKey: LQAWZLKHTIIIRD-HXCUPTOMSA-M
• XLogP: 25.15
• TPSA: 600.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 35
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3073.39
LogP ≤ 5	25.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate?

The IUPAC name of azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate (CID 160552288) is azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate.

What is the SMILES notation for azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate?

The canonical SMILES for azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate is CC(C)(C)OC(=O)c1cn(C[C@H](F)CC(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)c2ccc(I)nn2)nn1.COC(=O)Cc1cc(OC2CC(F)(F)C2)cc(C)n1.Cc1cc(F)cc(Br)n1.Cc1cc(OC2CC(F)(F)C2)cc(Br)n1.Cc1cc(OC2CC(F)(F)C2)cc(CC(=O)Nc2ccc(C(C[C@@H](F)Cn3cc(C(=O)OC(C)(C)C)nn3)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn2)n1.Cc1cc(OC2CC(F)(F)C2)cc(CC(=O)OC(C)(C)C)n1.Cc1cc(OC2CC(F)(F)C2)cc(CC(N)=O)n1.Cl[Zn+].N.OC1CC(F)(F)C1.[CH2-]C(=O)OC(C)(C)C.

What is the InChIKey of azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate?

The InChIKey is LQAWZLKHTIIIRD-HXCUPTOMSA-M. The full InChI is InChI=1S/C37H48F3N7O8.C25H35FIN5O6.C16H21F2NO3.C13H15F2NO3.C12H14F2N2O2.C10H10BrF2NO.C6H5BrFN.C6H11O2.C4H6F2O.ClH.H3N.Zn/c1-21-13-24(52-25-17-36(39,40)18-25)14-23(41-21)15-29(48)42-28-12-11-27(44-45-28)37(31(50)54-34(5,6)7,32(51)55-35(8,9)10)16-22(38)19-47-20-26(43-46-47)30(49)53-33(2,3)4;1-22(2,3)36-19(33)16-14-32(31-28-16)13-15(26)12-25(20(34)37-23(4,5)6,21(35)38-24(7,8)9)17-10-11-18(27)30-29-17;1-10-5-12(21-13-8-16(17,18)9-13)6-11(19-10)7-14(20)22-15(2,3)4;1-8-3-10(19-11-6-13(14,15)7-11)4-9(16-8)5-12(17)18-2;1-7-2-9(3-8(16-7)4-11(15)17)18-10-5-12(13,14)6-10;1-6-2-7(3-9(11)14-6)15-8-4-10(12,13)5-8;1-4-2-5(8)3-6(7)9-4;1-5(7)8-6(2,3)4;5-4(6)1-3(7)2-4;;;/h11-14,20,22,25H,15-19H2,1-10H3,(H,42,45,48);10-11,14-15H,12-13H2,1-9H3;5-6,13H,7-9H2,1-4H3;3-4,11H,5-7H2,1-2H3;2-3,10H,4-6H2,1H3,(H2,15,17);2-3,8H,4-5H2,1H3;2-3H,1H3;1H2,2-4H3;3,7H,1-2H2;1H;1H3;/q;;;;;;;-1;;;;+2/p-1/t22-;15-;;;;;;;;;;/m11........../s1.

What are the key properties of azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate?

azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate has a molecular weight of 3073.39 g/mol, XLogP of 25.15, 35 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for azane;2-bromo-4-(3,3-difluorocyclobutyl)oxy-6-methylpyridine;2-bromo-4-fluoro-6-methylpyridine;tert-butyl acetate;tert-butyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate;chlorozinc(1+);ditert-butyl 2-[6-[[2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetyl]amino]pyridazin-3-yl]-2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]propanedioate;ditert-butyl 2-[(2R)-2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]propyl]-2-(6-iodopyridazin-3-yl)propanedioate;3,3-difluorocyclobutan-1-ol;2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetamide;methyl 2-[4-(3,3-difluorocyclobutyl)oxy-6-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 160552288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).