1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one

C211H192F6N64O22 — CID 157266956

About 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one

1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one (PubChem CID 157266956) has the molecular formula C211H192F6N64O22 and a molecular weight of 4091.28 g/mol. Its IUPAC name is 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

• Compound Name: 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one
• PubChem CID: 157266956
• Molecular Formula: C211H192F6N64O22
• Molecular Weight: 4091.28 g/mol
• Exact Mass: 4088.58
• IUPAC Name: 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one
• SMILES: Cc1cc(F)cc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cc1ccc(C2(F)CC(c3noc(Cn4ccn5c(=O)cccc5c4=O)n3)C2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnn5ncc(C)c5c4=O)n3)C2)cc1.Cc1ccc(C2=CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1ccc(C2=CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3ncc4ncccc4c3=O)n2)c1.Cc1cnn2ncn(Cc3nc(C4C5CN(c6ccccc6)CC54)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7ncoc7c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccccc6F)CC54)no3)c(=O)c21.[2H]c1nc2ncn(C)c2c(=O)n1Cc1nc(C2C3CN(c4cccc(C)c4)CC32)no1
• InChI: InChI=1S/2C22H19FN6O2.C22H19FN4O3.C22H20N6O2.C21H20FN7O2.C21H18N8O3.C21H21N7O2.C20H18FN7O2.C20H19FN6O2.C20H19N7O2/c2*1-11-3-4-12(7-16(11)23)13-5-14-15(6-13)18(14)20-26-17(31-27-20)8-29-10-25-21-19(22(29)30)28(2)9-24-21;1-14-5-7-16(8-6-14)22(23)11-15(12-22)20-24-18(30-25-20)13-26-9-10-27-17(21(26)29)3-2-4-19(27)28;1-13-4-2-5-14(8-13)27-10-16-17(11-27)20(16)21-25-19(30-26-21)12-28-22(29)15-6-3-7-23-18(15)9-24-28;1-11-3-12(22)5-13(4-11)28-6-14-15(7-28)17(14)19-25-16(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-27-8-22-20-18(27)21(30)29(9-23-20)7-16-25-19(26-32-16)17-12-5-28(6-13(12)17)11-2-3-14-15(4-11)31-10-24-14;1-12-4-3-5-13(6-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-26-9-22-19-17(26)20(29)28(10-23-19)8-15-24-18(25-30-15)16-11-6-27(7-12(11)16)14-5-3-2-4-13(14)21;1-12-3-5-15(6-4-12)20(21)7-14(8-20)18-24-16(29-25-18)10-26-11-23-27-17(19(26)28)13(2)9-22-27;1-12-7-21-27-18(12)20(28)26(11-22-27)10-16-23-19(24-29-16)17-14-8-25(9-15(14)17)13-5-3-2-4-6-13/h2*3-5,7,9-10,14-15,18H,6,8H2,1-2H3;2-10,15H,11-13H2,1H3;2-9,16-17,20H,10-12H2,1H3;3-5,9-10,14-15,17H,6-8H2,1-2H3;2-4,8-10,12-13,17H,5-7H2,1H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;2-5,9-12,16H,6-8H2,1H3;3-6,9,11,14H,7-8,10H2,1-2H3;2-7,11,14-15,17H,8-10H2,1H3/i;;;;;;11D
• InChIKey: AYCIKONRMAATPN-IIIBJGGJSA-N
• XLogP: 21.82
• TPSA: 946.57 Ų
• H-Bond Acceptors: 86
• Rotatable Bonds: 40
• Heavy Atoms: 303
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4091.28
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	86

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?

The IUPAC name of 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one (CID 157266956) is 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one.

What is the SMILES notation for 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?

The canonical SMILES for 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one is Cc1cc(F)cc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cc1ccc(C2(F)CC(c3noc(Cn4ccn5c(=O)cccc5c4=O)n3)C2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnn5ncc(C)c5c4=O)n3)C2)cc1.Cc1ccc(C2=CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1ccc(C2=CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3ncc4ncccc4c3=O)n2)c1.Cc1cnn2ncn(Cc3nc(C4C5CN(c6ccccc6)CC54)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7ncoc7c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccccc6F)CC54)no3)c(=O)c21.[2H]c1nc2ncn(C)c2c(=O)n1Cc1nc(C2C3CN(c4cccc(C)c4)CC32)no1.

What is the InChIKey of 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?

The InChIKey is AYCIKONRMAATPN-IIIBJGGJSA-N. The full InChI is InChI=1S/2C22H19FN6O2.C22H19FN4O3.C22H20N6O2.C21H20FN7O2.C21H18N8O3.C21H21N7O2.C20H18FN7O2.C20H19FN6O2.C20H19N7O2/c2*1-11-3-4-12(7-16(11)23)13-5-14-15(6-13)18(14)20-26-17(31-27-20)8-29-10-25-21-19(22(29)30)28(2)9-24-21;1-14-5-7-16(8-6-14)22(23)11-15(12-22)20-24-18(30-25-20)13-26-9-10-27-17(21(26)29)3-2-4-19(27)28;1-13-4-2-5-14(8-13)27-10-16-17(11-27)20(16)21-25-19(30-26-21)12-28-22(29)15-6-3-7-23-18(15)9-24-28;1-11-3-12(22)5-13(4-11)28-6-14-15(7-28)17(14)19-25-16(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-27-8-22-20-18(27)21(30)29(9-23-20)7-16-25-19(26-32-16)17-12-5-28(6-13(12)17)11-2-3-14-15(4-11)31-10-24-14;1-12-4-3-5-13(6-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-26-9-22-19-17(26)20(29)28(10-23-19)8-15-24-18(25-30-15)16-11-6-27(7-12(11)16)14-5-3-2-4-13(14)21;1-12-3-5-15(6-4-12)20(21)7-14(8-20)18-24-16(29-25-18)10-26-11-23-27-17(19(26)28)13(2)9-22-27;1-12-7-21-27-18(12)20(28)26(11-22-27)10-16-23-19(24-29-16)17-14-8-25(9-15(14)17)13-5-3-2-4-6-13/h2*3-5,7,9-10,14-15,18H,6,8H2,1-2H3;2-10,15H,11-13H2,1H3;2-9,16-17,20H,10-12H2,1H3;3-5,9-10,14-15,17H,6-8H2,1-2H3;2-4,8-10,12-13,17H,5-7H2,1H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;2-5,9-12,16H,6-8H2,1H3;3-6,9,11,14H,7-8,10H2,1-2H3;2-7,11,14-15,17H,8-10H2,1H3/i;;;;;;11D;;;.

What are the key properties of 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?

1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one has a molecular weight of 4091.28 g/mol, XLogP of 21.82, 40 rotatable bonds, 0 hydrogen bond donors, and 86 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[3-(1,3-benzoxazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-deuterio-7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(3-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one);3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;2-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;1-[[3-[3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 157266956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).