1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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

C190H181F3N66O18 — CID 159825802

About 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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

1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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 (PubChem CID 159825802) has the molecular formula C190H181F3N66O18 and a molecular weight of 3733.98 g/mol. Its IUPAC name is 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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.

Molecular Properties

• Compound Name: 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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
• PubChem CID: 159825802
• Molecular Formula: C190H181F3N66O18
• Molecular Weight: 3733.98 g/mol
• Exact Mass: 3731.52
• IUPAC Name: 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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
• SMILES: Cc1ccc(C2=CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)nc1.Cc1cccc(C2(F)CC(c3noc(Cn4cnc5nccc(C)c5c4=O)n3)C2)c1.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4nnn(C)c4c3=O)n2)c1.Cc1ccnc(N2CC3C(C2)C3c2noc(Cn3cnc4c(c(C)nn4C)c3=O)n2)c1.Cc1ccnc(N2CC3C(C2)C3c2noc(Cn3cnn4ncc(C)c4c3=O)n2)c1.Cc1cncc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cn1cnc2ncn(Cc3nc(C4C5C=C(c6ccc7ccncc7c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6cncc(C(C)(F)F)c6)CC54)no3)c(=O)c21
• InChI: InChI=1S/C24H19N7O2.C22H20FN5O2.C22H20N6O2.C21H20F2N8O2.C21H22N8O2.4C20H20N8O2/c1-30-11-26-23-21(30)24(32)31(12-27-23)10-19-28-22(29-33-19)20-17-7-15(8-18(17)20)14-3-2-13-4-5-25-9-16(13)6-14;1-13-4-3-5-16(8-13)22(23)9-15(10-22)19-26-17(30-27-19)11-28-12-25-20-18(21(28)29)14(2)6-7-24-20;1-12-3-5-13(6-4-12)14-7-15-16(8-14)18(15)20-25-17(30-26-20)9-28-11-24-21-19(22(28)29)27(2)10-23-21;1-21(22,23)11-3-12(5-24-4-11)30-6-13-14(7-30)16(13)18-27-15(33-28-18)8-31-10-26-19-17(20(31)32)29(2)9-25-19;1-11-4-5-22-15(6-11)28-7-13-14(8-28)18(13)19-24-16(31-26-19)9-29-10-23-20-17(21(29)30)12(2)25-27(20)3;1-11-3-12(5-21-4-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-3-4-14(21-5-11)27-6-12-13(7-27)16(12)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-3-4-21-15(5-11)26-7-13-14(8-26)17(13)19-24-16(30-25-19)9-27-10-23-28-18(20(27)29)12(2)6-22-28;1-11-4-3-5-12(6-11)27-7-13-14(8-27)16(13)18-22-15(30-24-18)9-28-10-21-19-17(20(28)29)26(2)25-23-19/h2-7,9,11-12,17-18,20H,8,10H2,1H3;3-8,12,15H,9-11H2,1-2H3;3-7,10-11,15-16,18H,8-9H2,1-2H3;3-5,9-10,13-14,16H,6-8H2,1-2H3;4-6,10,13-14,18H,7-9H2,1-3H3;3-5,9-10,13-14,16H,6-8H2,1-2H3;3-5,9-10,12-13,16H,6-8H2,1-2H3;3-6,10,13-14,17H,7-9H2,1-2H3;3-6,10,13-14,16H,7-9H2,1-2H3
• InChIKey: NMUVRVXLOZKNNT-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 928.89 Ų
• H-Bond Acceptors: 84
• Rotatable Bonds: 37
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3733.98
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	84

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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?

The IUPAC name of 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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 (CID 159825802) is 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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.

What is the SMILES notation for 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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?

The canonical SMILES for 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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 is Cc1ccc(C2=CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)nc1.Cc1cccc(C2(F)CC(c3noc(Cn4cnc5nccc(C)c5c4=O)n3)C2)c1.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4nnn(C)c4c3=O)n2)c1.Cc1ccnc(N2CC3C(C2)C3c2noc(Cn3cnc4c(c(C)nn4C)c3=O)n2)c1.Cc1ccnc(N2CC3C(C2)C3c2noc(Cn3cnn4ncc(C)c4c3=O)n2)c1.Cc1cncc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cn1cnc2ncn(Cc3nc(C4C5C=C(c6ccc7ccncc7c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6cncc(C(C)(F)F)c6)CC54)no3)c(=O)c21.

What is the InChIKey of 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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?

The InChIKey is NMUVRVXLOZKNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O2.C22H20FN5O2.C22H20N6O2.C21H20F2N8O2.C21H22N8O2.4C20H20N8O2/c1-30-11-26-23-21(30)24(32)31(12-27-23)10-19-28-22(29-33-19)20-17-7-15(8-18(17)20)14-3-2-13-4-5-25-9-16(13)6-14;1-13-4-3-5-16(8-13)22(23)9-15(10-22)19-26-17(30-27-19)11-28-12-25-20-18(21(28)29)14(2)6-7-24-20;1-12-3-5-13(6-4-12)14-7-15-16(8-14)18(15)20-25-17(30-26-20)9-28-11-24-21-19(22(28)29)27(2)10-23-21;1-21(22,23)11-3-12(5-24-4-11)30-6-13-14(7-30)16(13)18-27-15(33-28-18)8-31-10-26-19-17(20(31)32)29(2)9-25-19;1-11-4-5-22-15(6-11)28-7-13-14(8-28)18(13)19-24-16(31-26-19)9-29-10-23-20-17(21(29)30)12(2)25-27(20)3;1-11-3-12(5-21-4-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-3-4-14(21-5-11)27-6-12-13(7-27)16(12)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-11-3-4-21-15(5-11)26-7-13-14(8-26)17(13)19-24-16(30-25-19)9-27-10-23-28-18(20(27)29)12(2)6-22-28;1-11-4-3-5-12(6-11)27-7-13-14(8-27)16(13)18-22-15(30-24-18)9-28-10-21-19-17(20(28)29)26(2)25-23-19/h2-7,9,11-12,17-18,20H,8,10H2,1H3;3-8,12,15H,9-11H2,1-2H3;3-7,10-11,15-16,18H,8-9H2,1-2H3;3-5,9-10,13-14,16H,6-8H2,1-2H3;4-6,10,13-14,18H,7-9H2,1-3H3;3-5,9-10,13-14,16H,6-8H2,1-2H3;3-5,9-10,12-13,16H,6-8H2,1-2H3;3-6,10,13-14,17H,7-9H2,1-2H3;3-6,10,13-14,16H,7-9H2,1-2H3.

What are the key properties of 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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?

1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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 has a molecular weight of 3733.98 g/mol, XLogP of 17.06, 37 rotatable bonds, 0 hydrogen bond donors, and 84 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-(3-isoquinolin-7-yl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-methyl-6-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;7-methyl-1-[[3-[3-(4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methyl-2-pyridinyl)-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 is sourced from PubChem (CID 159825802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).