1-[[3-[3-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C225H205N71O20S — CID 159440188

About 1-[[3-[3-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

1-[[3-[3-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 159440188) has the molecular formula C225H205N71O20S and a molecular weight of 4255.66 g/mol. Its IUPAC name is 1-[[3-[3-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-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-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• PubChem CID: 159440188
• Molecular Formula: C225H205N71O20S
• Molecular Weight: 4255.66 g/mol
• Exact Mass: 4252.69
• IUPAC Name: 1-[[3-[3-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• SMILES: Cc1ccc(C2CC(c3noc(Cn4cnc5nccc(C)c5c4=O)n3)C2)cc1.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4cncc(C)c4c3=O)n2)c1.Cc1ccnc2ncn(Cc3nc(C4C5CN(c6ccccc6)CC54)no3)c(=O)c12.Cc1cncc2ncn(Cc3nc(C4C5CN(c6ccccc6)CC54)no3)c(=O)c12.Cn1ccc2cc(N3CC4C(C3)C4c3noc(Cn4cnc5ncn(C)c5c4=O)n3)ccc21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7c(cnn7C)c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7ccncc7c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7ncccc7c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7sccc7c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6cnc7ccccc7c6)CC54)no3)c(=O)c21
• InChI: InChI=1S/C23H22N8O2.3C23H20N8O2.C23H22N6O2.C22H21N9O2.C22H19N7O2S.2C22H20N6O2.C22H21N5O2/c1-28-6-5-13-7-14(3-4-17(13)28)30-8-15-16(9-30)19(15)21-26-18(33-27-21)10-31-12-25-22-20(23(31)32)29(2)11-24-22;1-29-11-25-22-20(29)23(32)31(12-26-22)10-18-27-21(28-33-18)19-16-8-30(9-17(16)19)15-3-2-13-4-5-24-7-14(13)6-15;1-29-11-25-22-20(29)23(32)31(12-26-22)10-18-27-21(28-33-18)19-15-8-30(9-16(15)19)14-4-5-17-13(7-14)3-2-6-24-17;1-29-11-25-22-20(29)23(32)31(12-26-22)10-18-27-21(28-33-18)19-15-8-30(9-16(15)19)14-6-13-4-2-3-5-17(13)24-7-14;1-13-4-3-5-15(6-13)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;1-28-10-23-21-19(28)22(32)31(11-24-21)9-17-26-20(27-33-17)18-14-7-30(8-15(14)18)13-3-4-16-12(5-13)6-25-29(16)2;1-27-10-23-21-19(27)22(30)29(11-24-21)9-17-25-20(26-31-17)18-14-7-28(8-15(14)18)13-2-3-16-12(6-13)4-5-32-16;1-13-7-23-8-17-19(13)22(29)28(12-24-17)11-18-25-21(26-30-18)20-15-9-27(10-16(15)20)14-5-3-2-4-6-14;1-13-7-8-23-20-18(13)22(29)28(12-24-20)11-17-25-21(26-30-17)19-15-9-27(10-16(15)19)14-5-3-2-4-6-14;1-13-3-5-15(6-4-13)16-9-17(10-16)20-25-18(29-26-20)11-27-12-24-21-19(22(27)28)14(2)7-8-23-21/h3-7,11-12,15-16,19H,8-10H2,1-2H3;2-7,11-12,16-17,19H,8-10H2,1H3;2*2-7,11-12,15-16,19H,8-10H2,1H3;3-8,12,16-17,21H,9-11H2,1-2H3;3-6,10-11,14-15,18H,7-9H2,1-2H3;2-6,10-11,14-15,18H,7-9H2,1H3;2-8,12,15-16,20H,9-11H2,1H3;2-8,12,15-16,19H,9-11H2,1H3;3-8,12,16-17H,9-11H2,1-2H3
• InChIKey: LSBLWESUTNBSHB-UHFFFAOYSA-N
• XLogP: 22.66
• TPSA: 987.16 Ų
• H-Bond Acceptors: 92
• Rotatable Bonds: 40
• Heavy Atoms: 317
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4255.66
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	92

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-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-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 159440188) is 1-[[3-[3-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-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-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-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-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1ccc(C2CC(c3noc(Cn4cnc5nccc(C)c5c4=O)n3)C2)cc1.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4cncc(C)c4c3=O)n2)c1.Cc1ccnc2ncn(Cc3nc(C4C5CN(c6ccccc6)CC54)no3)c(=O)c12.Cc1cncc2ncn(Cc3nc(C4C5CN(c6ccccc6)CC54)no3)c(=O)c12.Cn1ccc2cc(N3CC4C(C3)C4c3noc(Cn4cnc5ncn(C)c5c4=O)n3)ccc21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7c(cnn7C)c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7ccncc7c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7ncccc7c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc7sccc7c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6cnc7ccccc7c6)CC54)no3)c(=O)c21.

What is the InChIKey of 1-[[3-[3-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The InChIKey is LSBLWESUTNBSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2.3C23H20N8O2.C23H22N6O2.C22H21N9O2.C22H19N7O2S.2C22H20N6O2.C22H21N5O2/c1-28-6-5-13-7-14(3-4-17(13)28)30-8-15-16(9-30)19(15)21-26-18(33-27-21)10-31-12-25-22-20(23(31)32)29(2)11-24-22;1-29-11-25-22-20(29)23(32)31(12-26-22)10-18-27-21(28-33-18)19-16-8-30(9-17(16)19)15-3-2-13-4-5-24-7-14(13)6-15;1-29-11-25-22-20(29)23(32)31(12-26-22)10-18-27-21(28-33-18)19-15-8-30(9-16(15)19)14-4-5-17-13(7-14)3-2-6-24-17;1-29-11-25-22-20(29)23(32)31(12-26-22)10-18-27-21(28-33-18)19-15-8-30(9-16(15)19)14-6-13-4-2-3-5-17(13)24-7-14;1-13-4-3-5-15(6-13)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;1-28-10-23-21-19(28)22(32)31(11-24-21)9-17-26-20(27-33-17)18-14-7-30(8-15(14)18)13-3-4-16-12(5-13)6-25-29(16)2;1-27-10-23-21-19(27)22(30)29(11-24-21)9-17-25-20(26-31-17)18-14-7-28(8-15(14)18)13-2-3-16-12(6-13)4-5-32-16;1-13-7-23-8-17-19(13)22(29)28(12-24-17)11-18-25-21(26-30-18)20-15-9-27(10-16(15)20)14-5-3-2-4-6-14;1-13-7-8-23-20-18(13)22(29)28(12-24-20)11-17-25-21(26-30-17)19-15-9-27(10-16(15)19)14-5-3-2-4-6-14;1-13-3-5-15(6-4-13)16-9-17(10-16)20-25-18(29-26-20)11-27-12-24-21-19(22(27)28)14(2)7-8-23-21/h3-7,11-12,15-16,19H,8-10H2,1-2H3;2-7,11-12,16-17,19H,8-10H2,1H3;2*2-7,11-12,15-16,19H,8-10H2,1H3;3-8,12,16-17,21H,9-11H2,1-2H3;3-6,10-11,14-15,18H,7-9H2,1-2H3;2-6,10-11,14-15,18H,7-9H2,1H3;2-8,12,15-16,20H,9-11H2,1H3;2-8,12,15-16,19H,9-11H2,1H3;3-8,12,16-17H,9-11H2,1-2H3.

What are the key properties of 1-[[3-[3-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

1-[[3-[3-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 4255.66 g/mol, XLogP of 22.66, 40 rotatable bonds, 0 hydrogen bond donors, and 92 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[3-(1-benzothiophen-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(3-isoquinolin-7-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(1-methylindazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(1-methylindol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;5-methyl-3-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;5-methyl-3-[[3-(3-phenyl-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-quinolin-3-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-quinolin-6-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 159440188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).