1-[[3-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C198H187F6N59O20 — CID 158330078

About 1-[[3-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

1-[[3-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 158330078) has the molecular formula C198H187F6N59O20 and a molecular weight of 3827.05 g/mol. Its IUPAC name is 1-[[3-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-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-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• PubChem CID: 158330078
• Molecular Formula: C198H187F6N59O20
• Molecular Weight: 3827.05 g/mol
• Exact Mass: 3824.53
• IUPAC Name: 1-[[3-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• SMILES: CC(=O)c1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)cc1.COc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)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(N2C[C@@H]3C(c4noc(Cn5cnc6cncc(C)c6c5=O)n4)[C@@H]3C2)cc1.Cc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)cn1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc(C(C)(F)F)cc6)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc7ccccc7c6)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(C(C)(F)F)c6)C[C@@H]45)no3)c(=O)c21
• InChI: InChI=1S/C24H21N7O2.C23H22N6O2.2C22H21F2N7O2.2C22H20FN5O2.C22H21N7O3.C21H21N7O3.C20H20N8O2/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;1-22(23,24)12-4-3-5-13(6-12)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;1-12(30)13-3-5-14(6-4-13)28-7-15-16(8-28)18(15)20-25-17(32-26-20)9-29-11-24-21-19(22(29)31)27(2)10-23-21;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/h2-8,12-13,17-18,20H,9-11H2,1H3;3-8,12,16-17,21H,9-11H2,1-2H3;2*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;3-6,10-11,15-16,18H,7-9H2,1-2H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;3-5,9-10,13-14,16H,6-8H2,1-2H3/t17-,18+,20?;16-,17+,21?;2*14-,15+,17?;;;15-,16+,18?;14-,15+,17?;13-,14+,16?
• InChIKey: GPWWXILXPILDGS-UKHSGQGJSA-N
• XLogP: 21.61
• TPSA: 871.75 Ų
• H-Bond Acceptors: 79
• Rotatable Bonds: 40
• Heavy Atoms: 283
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3827.05
LogP ≤ 5	21.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	79

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-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-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 158330078) is 1-[[3-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-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-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-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-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is CC(=O)c1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)cc1.COc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)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(N2C[C@@H]3C(c4noc(Cn5cnc6cncc(C)c6c5=O)n4)[C@@H]3C2)cc1.Cc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)cn1.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc(C(C)(F)F)cc6)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccc7ccccc7c6)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(C(C)(F)F)c6)C[C@@H]45)no3)c(=O)c21.

What is the InChIKey of 1-[[3-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-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 GPWWXILXPILDGS-UKHSGQGJSA-N. The full InChI is InChI=1S/C24H21N7O2.C23H22N6O2.2C22H21F2N7O2.2C22H20FN5O2.C22H21N7O3.C21H21N7O3.C20H20N8O2/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;1-22(23,24)12-4-3-5-13(6-12)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;1-12(30)13-3-5-14(6-4-13)28-7-15-16(8-28)18(15)20-25-17(32-26-20)9-29-11-24-21-19(22(29)31)27(2)10-23-21;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/h2-8,12-13,17-18,20H,9-11H2,1H3;3-8,12,16-17,21H,9-11H2,1-2H3;2*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;3-6,10-11,15-16,18H,7-9H2,1-2H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;3-5,9-10,13-14,16H,6-8H2,1-2H3/t17-,18+,20?;16-,17+,21?;2*14-,15+,17?;;;15-,16+,18?;14-,15+,17?;13-,14+,16?.

What are the key properties of 1-[[3-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-3-naphthalen-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

1-[[3-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-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 3827.05 g/mol, XLogP of 21.61, 40 rotatable bonds, 0 hydrogen bond donors, and 79 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[(1R,5S)-3-(4-acetylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-[3-(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-[(1R,5S)-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;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-[(1S,5R)-3-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-methyl-3-[[3-[(1S,5R)-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-[(1S,5R)-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-[(1R,5S)-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 158330078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).