tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C131H133BBr3F21N16O18S2Si — CID 160817048

About tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 160817048) has the molecular formula C131H133BBr3F21N16O18S2Si and a molecular weight of 2961.30 g/mol. Its IUPAC name is tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 160817048
• Molecular Formula: C131H133BBr3F21N16O18S2Si
• Molecular Weight: 2961.30 g/mol
• Exact Mass: 2956.65
• IUPAC Name: tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: CC(C)(C)OC(=O)N1CC(O)(C#C[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CC(O)(C#Cc2ccc(Br)c([C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)n2)C1.Cn1nc(CS(C)(=O)=O)c2cccc(-c3ccc(C#CC4(O)CN(C(=O)OC(C)(C)C)C4)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c21.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br)Cn1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21
• InChI: InChI=1S/C44H41F7N6O6S.C34H30BrF7N4O4.C24H16Br2F7N3O.C16H23BN2O4S.C13H23NO3Si/c1-41(2,3)63-40(59)56-21-42(60,22-56)12-11-27-9-10-29(30-7-6-8-31-34(20-64(5,61)62)53-55(4)37(30)31)36(52-27)24(13-23-14-25(45)17-26(46)15-23)16-28(58)19-57-39-35(38(54-57)44(49,50)51)32-18-33(32)43(39,47)48;1-31(2,3)50-30(48)45-15-32(49,16-45)7-6-21-4-5-25(35)27(43-21)18(8-17-9-19(36)12-20(37)10-17)11-22(47)14-46-29-26(28(44-46)34(40,41)42)23-13-24(23)33(29,38)39;25-17-1-2-18(26)34-20(17)11(3-10-4-12(27)7-13(28)5-10)6-14(37)9-36-22-19(21(35-36)24(31,32)33)15-8-16(15)23(22,29)30;1-15(2)16(3,4)23-17(22-15)12-9-7-8-11-13(10-24(6,20)21)18-19(5)14(11)12;1-12(2,3)17-11(15)14-9-13(16,10-14)7-8-18(4,5)6/h6-10,14-15,17,24,32-33,60H,13,16,18-22H2,1-5H3;4-5,9-10,12,18,23-24,49H,8,11,13-16H2,1-3H3;1-2,4-5,7,11,15-16H,3,6,8-9H2;7-9H,10H2,1-6H3;16H,9-10H2,1-6H3/t24-,32+,33-;18-,23+,24-;11-,15+,16-;;/m111../s1
• InChIKey: SFAPCUNOSQNYTQ-JUYWFKFCSA-N
• XLogP: 24.63
• TPSA: 415.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2961.30
LogP ≤ 5	24.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 160817048) is tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is CC(C)(C)OC(=O)N1CC(O)(C#C[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CC(O)(C#Cc2ccc(Br)c([C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)n2)C1.Cn1nc(CS(C)(=O)=O)c2cccc(-c3ccc(C#CC4(O)CN(C(=O)OC(C)(C)C)C4)nc3[C@@H](CC(=O)Cn3nc(C(F)(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)Cc3cc(F)cc(F)c3)c21.Cn1nc(CS(C)(=O)=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c21.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br)Cn1nc(C(F)(F)F)c2c1C(F)(F)[C@@H]1C[C@H]21.

What is the InChIKey of tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is SFAPCUNOSQNYTQ-JUYWFKFCSA-N. The full InChI is InChI=1S/C44H41F7N6O6S.C34H30BrF7N4O4.C24H16Br2F7N3O.C16H23BN2O4S.C13H23NO3Si/c1-41(2,3)63-40(59)56-21-42(60,22-56)12-11-27-9-10-29(30-7-6-8-31-34(20-64(5,61)62)53-55(4)37(30)31)36(52-27)24(13-23-14-25(45)17-26(46)15-23)16-28(58)19-57-39-35(38(54-57)44(49,50)51)32-18-33(32)43(39,47)48;1-31(2,3)50-30(48)45-15-32(49,16-45)7-6-21-4-5-25(35)27(43-21)18(8-17-9-19(36)12-20(37)10-17)11-22(47)14-46-29-26(28(44-46)34(40,41)42)23-13-24(23)33(29,38)39;25-17-1-2-18(26)34-20(17)11(3-10-4-12(27)7-13(28)5-10)6-14(37)9-36-22-19(21(35-36)24(31,32)33)15-8-16(15)23(22,29)30;1-15(2)16(3,4)23-17(22-15)12-9-7-8-11-13(10-24(6,20)21)18-19(5)14(11)12;1-12(2,3)17-11(15)14-9-13(16,10-14)7-8-18(4,5)6/h6-10,14-15,17,24,32-33,60H,13,16,18-22H2,1-5H3;4-5,9-10,12,18,23-24,49H,8,11,13-16H2,1-3H3;1-2,4-5,7,11,15-16H,3,6,8-9H2;7-9H,10H2,1-6H3;16H,9-10H2,1-6H3/t24-,32+,33-;18-,23+,24-;11-,15+,16-;;/m111../s1.

What are the key properties of tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 2961.30 g/mol, XLogP of 24.63, 27 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[2-[5-bromo-6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-[2-[6-[(2R)-1-(3,5-difluorophenyl)-5-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-5-[1-methyl-3-(methylsulfonylmethyl)indazol-7-yl]-2-pyridinyl]ethynyl]-3-hydroxyazetidine-1-carboxylate;tert-butyl 3-hydroxy-3-(2-trimethylsilylethynyl)azetidine-1-carboxylate;(4R)-4-(3,6-dibromo-2-pyridinyl)-5-(3,5-difluorophenyl)-1-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]pentan-2-one;1-methyl-3-(methylsulfonylmethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 160817048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).