2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane

C260H273B3BrIN26O20 — CID 157074259

IUPAC2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C1=Nc2ccc(-c3ccc4cc(-c5ccc6cc(-c7ccc8nc([C@@H]9C[C@H]%10C[C@H]%10N9C(=O)OC(C)(C)C)[nH]c8c7)ccc6c5)ccc4c3)cc2C1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C1=Nc2ccc(-c3ccc4cc(-c5cnc([C@@H]6C[C@H]7C[C@H]7N6C(=O)OC(C)(C)C)[nH]5)ccc4c3)cc2C1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C1=Nc2ccc(-c3ccc4cc(B5OC(C)(C)C(C)(C)O5)ccc4c3)cc2C1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2ccc(Br)cc2[nH]1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(I)[nH]1.CC1(C)OB(c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)OC1(C)C.c1cc2c(cc1-c1ccc3cc(-c4ccc5cc(-c6ccc7nc(C8C[C@@H]9C[C@@H]9C8)[nH]c7c6)ccc5c4)ccc3c1)CC([C@@H]1C[C@H]3C[C@H]3N1)=N2.c1cc2c(cc1-c1ccc3cc(-c4cnc(C5C[C@@H]6C[C@@H]6C5)[nH]4)ccc3c1)CC([C@@H]1C[C@H]3C[C@H]3N1)=N2
InChIInChI=1S/C55H53N5O4.C46H38N4.C41H45N5O4.C34H39BN2O4.C32H30N4.C22H30B2O4.C17H20BrN3O2.C13H18IN3O2/c1-54(2,3)63-52(61)59-47-26-41(47)28-49(59)46-25-40-23-38(15-17-43(40)56-46)36-12-11-32-19-30(7-8-33(32)21-36)31-9-10-35-22-37(14-13-34(35)20-31)39-16-18-44-45(24-39)58-51(57-44)50-29-42-27-48(42)60(50)53(62)64-55(4,5)6;1-2-28-15-31(33-9-11-40-37(17-33)23-44(47-40)45-24-38-22-42(38)48-45)6-5-27(28)13-25(1)26-3-4-30-16-32(8-7-29(30)14-26)34-10-12-41-43(21-34)50-46(49-41)39-19-35-18-36(35)20-39;1-40(2,3)49-38(47)45-33-17-28(33)19-35(45)31-16-27-15-25(11-12-30(27)43-31)22-7-8-24-14-26(10-9-23(24)13-22)32-21-42-37(44-32)36-20-29-18-34(29)46(36)39(48)50-41(4,5)6;1-32(2,3)39-31(38)37-29-18-25(29)19-30(37)28-17-24-15-22(11-13-27(24)36-28)20-8-9-23-16-26(12-10-21(23)14-20)35-40-33(4,5)34(6,7)41-35;1-2-19-8-21(31-16-33-32(36-31)26-11-22-10-23(22)12-26)4-3-18(19)7-17(1)20-5-6-27-24(9-20)14-29(34-27)30-15-25-13-28(25)35-30;1-19(2)20(3,4)26-23(25-19)17-11-9-16-14-18(12-10-15(16)13-17)24-27-21(5,6)22(7,8)28-24;1-17(2,3)23-16(22)21-13-6-9(13)7-14(21)15-19-11-5-4-10(18)8-12(11)20-15;1-13(2,3)19-12(18)17-8-4-7(8)5-9(17)11-15-6-10(14)16-11/h7-24,41-42,47-50H,25-29H2,1-6H3,(H,57,58);1-17,21,35-36,38-39,42,45,48H,18-20,22-24H2,(H,49,50);7-15,21,28-29,33-36H,16-20H2,1-6H3,(H,42,44);8-16,25,29-30H,17-19H2,1-7H3;1-9,16,22-23,25-26,28,30,35H,10-15H2,(H,33,36);9-14H,1-8H3;4-5,8-9,13-14H,6-7H2,1-3H3,(H,19,20);6-9H,4-5H2,1-3H3,(H,15,16)/t41-,42-,47-,48-,49+,50+;35-,36+,38-,39?,42-,45+;28-,29-,33-,34-,35+,36+;25-,29-,30+;22-,23+,25-,26?,28-,30+;;9-,13-,14+;7-,8-,9+/m11111.11/s1
InChIKeyACUBSWMBAGEPBF-HLHUGBDCSA-N
MW4321.45 g/mol
LogP57.26
Rot. Bonds25

About 2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane

2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane (PubChem CID 157074259) has the molecular formula C260H273B3BrIN26O20 and a molecular weight of 4321.45 g/mol. Its IUPAC name is 2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
PubChem CID157074259
Molecular FormulaC260H273B3BrIN26O20
Molecular Weight4321.45 g/mol
Exact Mass4317.97
IUPAC Name2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C1=Nc2ccc(-c3ccc4cc(-c5ccc6cc(-c7ccc8nc([C@@H]9C[C@H]%10C[C@H]%10N9C(=O)OC(C)(C)C)[nH]c8c7)ccc6c5)ccc4c3)cc2C1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C1=Nc2ccc(-c3ccc4cc(-c5cnc([C@@H]6C[C@H]7C[C@H]7N6C(=O)OC(C)(C)C)[nH]5)ccc4c3)cc2C1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C1=Nc2ccc(-c3ccc4cc(B5OC(C)(C)C(C)(C)O5)ccc4c3)cc2C1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2ccc(Br)cc2[nH]1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(I)[nH]1.CC1(C)OB(c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)OC1(C)C.c1cc2c(cc1-c1ccc3cc(-c4ccc5cc(-c6ccc7nc(C8C[C@@H]9C[C@@H]9C8)[nH]c7c6)ccc5c4)ccc3c1)CC([C@@H]1C[C@H]3C[C@H]3N1)=N2.c1cc2c(cc1-c1ccc3cc(-c4cnc(C5C[C@@H]6C[C@@H]6C5)[nH]4)ccc3c1)CC([C@@H]1C[C@H]3C[C@H]3N1)=N2
InChIInChI=1S/C55H53N5O4.C46H38N4.C41H45N5O4.C34H39BN2O4.C32H30N4.C22H30B2O4.C17H20BrN3O2.C13H18IN3O2/c1-54(2,3)63-52(61)59-47-26-41(47)28-49(59)46-25-40-23-38(15-17-43(40)56-46)36-12-11-32-19-30(7-8-33(32)21-36)31-9-10-35-22-37(14-13-34(35)20-31)39-16-18-44-45(24-39)58-51(57-44)50-29-42-27-48(42)60(50)53(62)64-55(4,5)6;1-2-28-15-31(33-9-11-40-37(17-33)23-44(47-40)45-24-38-22-42(38)48-45)6-5-27(28)13-25(1)26-3-4-30-16-32(8-7-29(30)14-26)34-10-12-41-43(21-34)50-46(49-41)39-19-35-18-36(35)20-39;1-40(2,3)49-38(47)45-33-17-28(33)19-35(45)31-16-27-15-25(11-12-30(27)43-31)22-7-8-24-14-26(10-9-23(24)13-22)32-21-42-37(44-32)36-20-29-18-34(29)46(36)39(48)50-41(4,5)6;1-32(2,3)39-31(38)37-29-18-25(29)19-30(37)28-17-24-15-22(11-13-27(24)36-28)20-8-9-23-16-26(12-10-21(23)14-20)35-40-33(4,5)34(6,7)41-35;1-2-19-8-21(31-16-33-32(36-31)26-11-22-10-23(22)12-26)4-3-18(19)7-17(1)20-5-6-27-24(9-20)14-29(34-27)30-15-25-13-28(25)35-30;1-19(2)20(3,4)26-23(25-19)17-11-9-16-14-18(12-10-15(16)13-17)24-27-21(5,6)22(7,8)28-24;1-17(2,3)23-16(22)21-13-6-9(13)7-14(21)15-19-11-5-4-10(18)8-12(11)20-15;1-13(2,3)19-12(18)17-8-4-7(8)5-9(17)11-15-6-10(14)16-11/h7-24,41-42,47-50H,25-29H2,1-6H3,(H,57,58);1-17,21,35-36,38-39,42,45,48H,18-20,22-24H2,(H,49,50);7-15,21,28-29,33-36H,16-20H2,1-6H3,(H,42,44);8-16,25,29-30H,17-19H2,1-7H3;1-9,16,22-23,25-26,28,30,35H,10-15H2,(H,33,36);9-14H,1-8H3;4-5,8-9,13-14H,6-7H2,1-3H3,(H,19,20);6-9H,4-5H2,1-3H3,(H,15,16)/t41-,42-,47-,48-,49+,50+;35-,36+,38-,39?,42-,45+;28-,29-,33-,34-,35+,36+;25-,29-,30+;22-,23+,25-,26?,28-,30+;;9-,13-,14+;7-,8-,9+/m11111.11/s1
InChIKeyACUBSWMBAGEPBF-HLHUGBDCSA-N
XLogP57.26
TPSA520.10 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004321.45
LogP ≤ 557.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze 2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane (CID 157074259) is 2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C1=Nc2ccc(-c3ccc4cc(-c5ccc6cc(-c7ccc8nc([C@@H]9C[C@H]%10C[C@H]%10N9C(=O)OC(C)(C)C)[nH]c8c7)ccc6c5)ccc4c3)cc2C1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C1=Nc2ccc(-c3ccc4cc(-c5cnc([C@@H]6C[C@H]7C[C@H]7N6C(=O)OC(C)(C)C)[nH]5)ccc4c3)cc2C1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C1=Nc2ccc(-c3ccc4cc(B5OC(C)(C)C(C)(C)O5)ccc4c3)cc2C1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1nc2ccc(Br)cc2[nH]1.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1c1ncc(I)[nH]1.CC1(C)OB(c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)OC1(C)C.c1cc2c(cc1-c1ccc3cc(-c4ccc5cc(-c6ccc7nc(C8C[C@@H]9C[C@@H]9C8)[nH]c7c6)ccc5c4)ccc3c1)CC([C@@H]1C[C@H]3C[C@H]3N1)=N2.c1cc2c(cc1-c1ccc3cc(-c4cnc(C5C[C@@H]6C[C@@H]6C5)[nH]4)ccc3c1)CC([C@@H]1C[C@H]3C[C@H]3N1)=N2.
What is the InChIKey of 2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
The InChIKey is ACUBSWMBAGEPBF-HLHUGBDCSA-N. The full InChI is InChI=1S/C55H53N5O4.C46H38N4.C41H45N5O4.C34H39BN2O4.C32H30N4.C22H30B2O4.C17H20BrN3O2.C13H18IN3O2/c1-54(2,3)63-52(61)59-47-26-41(47)28-49(59)46-25-40-23-38(15-17-43(40)56-46)36-12-11-32-19-30(7-8-33(32)21-36)31-9-10-35-22-37(14-13-34(35)20-31)39-16-18-44-45(24-39)58-51(57-44)50-29-42-27-48(42)60(50)53(62)64-55(4,5)6;1-2-28-15-31(33-9-11-40-37(17-33)23-44(47-40)45-24-38-22-42(38)48-45)6-5-27(28)13-25(1)26-3-4-30-16-32(8-7-29(30)14-26)34-10-12-41-43(21-34)50-46(49-41)39-19-35-18-36(35)20-39;1-40(2,3)49-38(47)45-33-17-28(33)19-35(45)31-16-27-15-25(11-12-30(27)43-31)22-7-8-24-14-26(10-9-23(24)13-22)32-21-42-37(44-32)36-20-29-18-34(29)46(36)39(48)50-41(4,5)6;1-32(2,3)39-31(38)37-29-18-25(29)19-30(37)28-17-24-15-22(11-13-27(24)36-28)20-8-9-23-16-26(12-10-21(23)14-20)35-40-33(4,5)34(6,7)41-35;1-2-19-8-21(31-16-33-32(36-31)26-11-22-10-23(22)12-26)4-3-18(19)7-17(1)20-5-6-27-24(9-20)14-29(34-27)30-15-25-13-28(25)35-30;1-19(2)20(3,4)26-23(25-19)17-11-9-16-14-18(12-10-15(16)13-17)24-27-21(5,6)22(7,8)28-24;1-17(2,3)23-16(22)21-13-6-9(13)7-14(21)15-19-11-5-4-10(18)8-12(11)20-15;1-13(2,3)19-12(18)17-8-4-7(8)5-9(17)11-15-6-10(14)16-11/h7-24,41-42,47-50H,25-29H2,1-6H3,(H,57,58);1-17,21,35-36,38-39,42,45,48H,18-20,22-24H2,(H,49,50);7-15,21,28-29,33-36H,16-20H2,1-6H3,(H,42,44);8-16,25,29-30H,17-19H2,1-7H3;1-9,16,22-23,25-26,28,30,35H,10-15H2,(H,33,36);9-14H,1-8H3;4-5,8-9,13-14H,6-7H2,1-3H3,(H,19,20);6-9H,4-5H2,1-3H3,(H,15,16)/t41-,42-,47-,48-,49+,50+;35-,36+,38-,39?,42-,45+;28-,29-,33-,34-,35+,36+;25-,29-,30+;22-,23+,25-,26?,28-,30+;;9-,13-,14+;7-,8-,9+/m11111.11/s1.
What are the key properties of 2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane?
2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane has a molecular weight of 4321.45 g/mol, XLogP of 57.26, 25 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-5-[6-[2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indole;6-[6-[6-[2-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-indol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-1H-benzimidazole;tert-butyl (1R,3S,5R)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(5-iodo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-[2-[(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-[5-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-indol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;4,4,5,5-tetramethyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 157074259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).