1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C196H184F4N58O19 — CID 160633957

About 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 160633957) has the molecular formula C196H184F4N58O19 and a molecular weight of 3732.01 g/mol. Its IUPAC name is 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

Molecular Properties

• Compound Name: 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• PubChem CID: 160633957
• Molecular Formula: C196H184F4N58O19
• Molecular Weight: 3732.01 g/mol
• Exact Mass: 3729.52
• IUPAC Name: 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• SMILES: C=Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.COc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5cncc(C)c5c4=O)n3)C2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5nccc(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4cncc(C)c4c3=O)n2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cn1.Cc1cccc2c1CC1C(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc(C(C)(F)F)cc6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7ccccc7c6)CC54)no3)c(=O)c21
• InChI: InChI=1S/C24H21N7O2.C23H22N6O2.C22H21F2N7O2.2C22H20FN5O2.C22H21N7O2.C21H21N7O3.C20H20N8O2.C20H18N6O2/c1-29-12-25-23-21(29)24(32)31(13-26-23)11-19-27-22(28-33-19)20-17-9-30(10-18(17)20)16-7-6-14-4-2-3-5-15(14)8-16;1-13-3-5-15(6-4-13)28-9-16-17(10-28)21(16)22-26-19(31-27-22)11-29-12-25-18-8-24-7-14(2)20(18)23(29)30;1-22(23,24)12-3-5-13(6-4-12)30-7-14-15(8-30)17(14)19-27-16(33-28-19)9-31-11-26-20-18(21(31)32)29(2)10-25-20;1-13-3-5-16(6-4-13)22(23)7-15(8-22)20-26-18(30-27-20)11-28-12-25-17-10-24-9-14(2)19(17)21(28)29;1-13-3-5-16(6-4-13)22(23)9-15(10-22)19-26-17(30-27-19)11-28-12-25-20-18(21(28)29)14(2)7-8-24-20;1-3-13-4-6-14(7-5-13)28-8-15-16(9-28)18(15)20-25-17(31-26-20)10-29-12-24-21-19(22(29)30)27(2)11-23-21;1-26-10-22-20-18(26)21(29)28(11-23-20)9-16-24-19(25-31-16)17-14-7-27(8-15(14)17)12-3-5-13(30-2)6-4-12;1-11-3-4-12(5-21-11)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;1-10-4-3-5-11-12(10)6-13-15(11)16(13)18-23-14(28-24-18)7-26-9-22-19-17(20(26)27)25(2)8-21-19/h2-8,12-13,17-18,20H,9-11H2,1H3;3-8,12,16-17,21H,9-11H2,1-2H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;3-6,9-10,12,15H,7-8,11H2,1-2H3;3-8,12,15H,9-11H2,1-2H3;3-7,11-12,15-16,18H,1,8-10H2,2H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;3-5,9-10,13-14,16H,6-8H2,1-2H3;3-5,8-9,13,15-16H,6-7H2,1-2H3
• InChIKey: RIHDLNIRIBAEJD-UHFFFAOYSA-N
• XLogP: 21.45
• TPSA: 851.44 Ų
• H-Bond Acceptors: 77
• Rotatable Bonds: 38
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3732.01
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	77

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The IUPAC name of 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 160633957) is 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

What is the SMILES notation for 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The canonical SMILES for 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is C=Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.COc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5cncc(C)c5c4=O)n3)C2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5nccc(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4cncc(C)c4c3=O)n2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cn1.Cc1cccc2c1CC1C(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc(C(C)(F)F)cc6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7ccccc7c6)CC54)no3)c(=O)c21.

What is the InChIKey of 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The InChIKey is RIHDLNIRIBAEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2.C23H22N6O2.C22H21F2N7O2.2C22H20FN5O2.C22H21N7O2.C21H21N7O3.C20H20N8O2.C20H18N6O2/c1-29-12-25-23-21(29)24(32)31(13-26-23)11-19-27-22(28-33-19)20-17-9-30(10-18(17)20)16-7-6-14-4-2-3-5-15(14)8-16;1-13-3-5-15(6-4-13)28-9-16-17(10-28)21(16)22-26-19(31-27-22)11-29-12-25-18-8-24-7-14(2)20(18)23(29)30;1-22(23,24)12-3-5-13(6-4-12)30-7-14-15(8-30)17(14)19-27-16(33-28-19)9-31-11-26-20-18(21(31)32)29(2)10-25-20;1-13-3-5-16(6-4-13)22(23)7-15(8-22)20-26-18(30-27-20)11-28-12-25-17-10-24-9-14(2)19(17)21(28)29;1-13-3-5-16(6-4-13)22(23)9-15(10-22)19-26-17(30-27-19)11-28-12-25-20-18(21(28)29)14(2)7-8-24-20;1-3-13-4-6-14(7-5-13)28-8-15-16(9-28)18(15)20-25-17(31-26-20)10-29-12-24-21-19(22(29)30)27(2)11-23-21;1-26-10-22-20-18(26)21(29)28(11-23-20)9-16-24-19(25-31-16)17-14-7-27(8-15(14)17)12-3-5-13(30-2)6-4-12;1-11-3-4-12(5-21-11)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;1-10-4-3-5-11-12(10)6-13-15(11)16(13)18-23-14(28-24-18)7-26-9-22-19-17(20(26)27)25(2)8-21-19/h2-8,12-13,17-18,20H,9-11H2,1H3;3-8,12,16-17,21H,9-11H2,1-2H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;3-6,9-10,12,15H,7-8,11H2,1-2H3;3-8,12,15H,9-11H2,1-2H3;3-7,11-12,15-16,18H,1,8-10H2,2H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;3-5,9-10,13-14,16H,6-8H2,1-2H3;3-5,8-9,13,15-16H,6-7H2,1-2H3.

What are the key properties of 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 3732.01 g/mol, XLogP of 21.45, 38 rotatable bonds, 0 hydrogen bond donors, and 77 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[3-[4-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(4-ethenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-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-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;1-[[3-[3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(6-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 160633957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).