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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C209H196F4N70O22 — CID 158759252

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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 158759252) has the molecular formula C209H196F4N70O22 and a molecular weight of 4116.33 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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
• PubChem CID: 158759252
• Molecular Formula: C209H196F4N70O22
• Molecular Weight: 4116.33 g/mol
• Exact Mass: 4113.63
• 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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
• SMILES: Cc1cc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)ccn1.Cc1cc(N2CC3C(C2)C3c2noc(Cn3ncc4ncccc4c3=O)n2)ccn1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5nnn(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncccc4c3=O)n2)nc1.Cc1cccc(C2(F)CC(c3noc(Cn4cnc5nccc(C)c5c4=O)n3)C2)c1.Cc1cccc(OC2CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)c1.Cc1ccnc(N2CC3C(C2)C3c2noc(Cn3ncc4ncn(C)c4c3=O)n2)c1.Cc1cncc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc(-c7ccco7)cc6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6cncc(C(C)(F)F)c6)CC54)no3)c(=O)c21
• InChI: InChI=1S/C24H21N7O3.C22H20FN5O2.C21H20F2N8O2.2C21H19N7O2.C21H19N5O3.3C20H20N8O2.C19H18FN7O2/c1-29-12-25-23-21(29)24(32)31(13-26-23)11-19-27-22(28-34-19)20-16-9-30(10-17(16)20)15-6-4-14(5-7-15)18-3-2-8-33-18;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;1-21(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;1-12-4-5-16(23-7-12)27-8-14-15(9-27)18(14)20-25-17(30-26-20)10-28-11-24-19-13(21(28)29)3-2-6-22-19;1-12-7-13(4-6-22-12)27-9-15-16(10-27)19(15)20-25-18(30-26-20)11-28-21(29)14-3-2-5-23-17(14)8-24-28;1-13-4-2-5-15(8-13)28-16-9-14(10-16)19-24-18(29-25-19)11-26-12-23-20-17(21(26)27)6-3-7-22-20;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;1-11-5-12(3-4-21-11)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;1-11-3-4-21-15(5-11)27-7-12-13(8-27)17(12)19-24-16(30-25-19)9-28-20(29)18-14(6-23-28)22-10-26(18)2;1-11-3-5-13(6-4-11)19(20)7-12(8-19)16-22-14(29-24-16)9-27-10-21-17-15(18(27)28)26(2)25-23-17/h2-8,12-13,16-17,20H,9-11H2,1H3;3-8,12,15H,9-11H2,1-2H3;3-5,9-10,13-14,16H,6-8H2,1-2H3;2-7,11,14-15,18H,8-10H2,1H3;2-8,15-16,19H,9-11H2,1H3;2-8,12,14,16H,9-11H2,1H3;2*3-5,9-10,13-14,16H,6-8H2,1-2H3;3-6,10,12-13,17H,7-9H2,1-2H3;3-6,10,12H,7-9H2,1-2H3
• InChIKey: IOLLIQRBYZDKNH-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 1031.86 Ų
• H-Bond Acceptors: 92
• Rotatable Bonds: 43
• Heavy Atoms: 305
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4116.33
LogP ≤ 5	19.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	92

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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 158759252) 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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is Cc1cc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)ccn1.Cc1cc(N2CC3C(C2)C3c2noc(Cn3ncc4ncccc4c3=O)n2)ccn1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5nnn(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncccc4c3=O)n2)nc1.Cc1cccc(C2(F)CC(c3noc(Cn4cnc5nccc(C)c5c4=O)n3)C2)c1.Cc1cccc(OC2CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)c1.Cc1ccnc(N2CC3C(C2)C3c2noc(Cn3ncc4ncn(C)c4c3=O)n2)c1.Cc1cncc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc(-c7ccco7)cc6)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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?

The InChIKey is IOLLIQRBYZDKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O3.C22H20FN5O2.C21H20F2N8O2.2C21H19N7O2.C21H19N5O3.3C20H20N8O2.C19H18FN7O2/c1-29-12-25-23-21(29)24(32)31(13-26-23)11-19-27-22(28-34-19)20-16-9-30(10-17(16)20)15-6-4-14(5-7-15)18-3-2-8-33-18;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;1-21(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;1-12-4-5-16(23-7-12)27-8-14-15(9-27)18(14)20-25-17(30-26-20)10-28-11-24-19-13(21(28)29)3-2-6-22-19;1-12-7-13(4-6-22-12)27-9-15-16(10-27)19(15)20-25-18(30-26-20)11-28-21(29)14-3-2-5-23-17(14)8-24-28;1-13-4-2-5-15(8-13)28-16-9-14(10-16)19-24-18(29-25-19)11-26-12-23-20-17(21(26)27)6-3-7-22-20;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;1-11-5-12(3-4-21-11)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;1-11-3-4-21-15(5-11)27-7-12-13(8-27)17(12)19-24-16(30-25-19)9-28-20(29)18-14(6-23-28)22-10-26(18)2;1-11-3-5-13(6-4-11)19(20)7-12(8-19)16-22-14(29-24-16)9-27-10-21-17-15(18(27)28)26(2)25-23-17/h2-8,12-13,16-17,20H,9-11H2,1H3;3-8,12,15H,9-11H2,1-2H3;3-5,9-10,13-14,16H,6-8H2,1-2H3;2-7,11,14-15,18H,8-10H2,1H3;2-8,15-16,19H,9-11H2,1H3;2-8,12,14,16H,9-11H2,1H3;2*3-5,9-10,13-14,16H,6-8H2,1-2H3;3-6,10,12-13,17H,7-9H2,1-2H3;3-6,10,12H,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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 4116.33 g/mol, XLogP of 19.93, 43 rotatable bonds, 0 hydrogen bond donors, and 92 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;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one;1-[[3-[3-[4-(furan-2-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-methyl-5-[[3-[3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]pyridazin-4-one;7-methyl-1-[[3-[3-(2-methyl-4-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;3-[[3-[3-(3-methylphenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;6-[[3-[3-(2-methyl-4-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 158759252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).