1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile

C168H159F4N55O18 — CID 157351734

About 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile

1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile (PubChem CID 157351734) has the molecular formula C168H159F4N55O18 and a molecular weight of 3312.48 g/mol. Its IUPAC name is 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile.

Molecular Properties

• Compound Name: 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile
• PubChem CID: 157351734
• Molecular Formula: C168H159F4N55O18
• Molecular Weight: 3312.48 g/mol
• Exact Mass: 3310.32
• IUPAC Name: 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile
• SMILES: CC(F)c1cccc(C2=CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cc1ccc(C2CCC(c3noc(Cn4cnc5nnn(C)c5c4=O)n3)C2)cc1.Cc1ccc(F)c(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1cccc(C(=O)C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1F.Cc1ccnc(N2CC3C(C2)C3c2noc(Cn3cnc4onc(C)c4c3=O)n2)c1.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccccc6C#N)CC54)no3)c(=O)c21
• InChI: InChI=1S/C23H21FN6O2.3C21H20FN7O2.C21H18N8O2.C21H20N6O3.C20H19N7O3.C20H21N7O2/c1-12(24)13-4-3-5-14(6-13)15-7-16-17(8-15)19(16)21-27-18(32-28-21)9-30-11-26-22-20(23(30)31)29(2)10-25-22;1-11-3-4-12(5-15(11)22)28-6-13-14(7-28)17(13)19-25-16(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-11-3-4-14(22)15(5-11)28-6-12-13(7-28)17(12)19-25-16(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-11-4-3-5-14(17(11)22)28-6-12-13(7-28)16(12)19-25-15(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-27-10-23-20-18(27)21(30)29(11-24-20)9-16-25-19(26-31-16)17-13-7-28(8-14(13)17)15-5-3-2-4-12(15)6-22;1-12-4-3-5-13(6-12)18(28)14-7-15(8-14)19-24-16(30-25-19)9-27-11-23-20-17(21(27)29)26(2)10-22-20;1-10-3-4-21-14(5-10)26-6-12-13(7-26)17(12)18-23-15(29-25-18)8-27-9-22-19-16(20(27)28)11(2)24-30-19;1-12-3-5-13(6-4-12)14-7-8-15(9-14)18-22-16(29-24-18)10-27-11-21-19-17(20(27)28)26(2)25-23-19/h3-7,10-12,16-17,19H,8-9H2,1-2H3;3-5,9-10,13-14,17H,6-8H2,1-2H3;3-5,9-10,12-13,17H,6-8H2,1-2H3;3-5,9-10,12-13,16H,6-8H2,1-2H3;2-5,10-11,13-14,17H,7-9H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3;3-5,9,12-13,17H,6-8H2,1-2H3;3-6,11,14-15H,7-10H2,1-2H3
• InChIKey: BHPPYPGNKRZLFH-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 824.09 Ų
• H-Bond Acceptors: 73
• Rotatable Bonds: 34
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3312.48
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	73

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile?

The IUPAC name of 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile (CID 157351734) is 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile.

What is the SMILES notation for 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile?

The canonical SMILES for 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile is CC(F)c1cccc(C2=CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cc1ccc(C2CCC(c3noc(Cn4cnc5nnn(C)c5c4=O)n3)C2)cc1.Cc1ccc(F)c(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1cccc(C(=O)C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1F.Cc1ccnc(N2CC3C(C2)C3c2noc(Cn3cnc4onc(C)c4c3=O)n2)c1.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccccc6C#N)CC54)no3)c(=O)c21.

What is the InChIKey of 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile?

The InChIKey is BHPPYPGNKRZLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2.3C21H20FN7O2.C21H18N8O2.C21H20N6O3.C20H19N7O3.C20H21N7O2/c1-12(24)13-4-3-5-14(6-13)15-7-16-17(8-15)19(16)21-27-18(32-28-21)9-30-11-26-22-20(23(30)31)29(2)10-25-22;1-11-3-4-12(5-15(11)22)28-6-13-14(7-28)17(13)19-25-16(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-11-3-4-14(22)15(5-11)28-6-12-13(7-28)17(12)19-25-16(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-11-4-3-5-14(17(11)22)28-6-12-13(7-28)16(12)19-25-15(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-27-10-23-20-18(27)21(30)29(11-24-20)9-16-25-19(26-31-16)17-13-7-28(8-14(13)17)15-5-3-2-4-12(15)6-22;1-12-4-3-5-13(6-12)18(28)14-7-15(8-14)19-24-16(30-25-19)9-27-11-23-20-17(21(27)29)26(2)10-22-20;1-10-3-4-21-14(5-10)26-6-12-13(7-26)17(12)18-23-15(29-25-18)8-27-9-22-19-16(20(27)28)11(2)24-30-19;1-12-3-5-13(6-4-12)14-7-8-15(9-14)18-22-16(29-24-18)10-27-11-21-19-17(20(27)28)26(2)25-23-19/h3-7,10-12,16-17,19H,8-9H2,1-2H3;3-5,9-10,13-14,17H,6-8H2,1-2H3;3-5,9-10,12-13,17H,6-8H2,1-2H3;3-5,9-10,12-13,16H,6-8H2,1-2H3;2-5,10-11,13-14,17H,7-9H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3;3-5,9,12-13,17H,6-8H2,1-2H3;3-6,11,14-15H,7-10H2,1-2H3.

What are the key properties of 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile?

1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile has a molecular weight of 3312.48 g/mol, XLogP of 16.51, 34 rotatable bonds, 0 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[3-[3-(1-fluoroethyl)phenyl]-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[3-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-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]-[1,2]oxazolo[5,4-d]pyrimidin-4-one;2-[6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile is sourced from PubChem (CID 157351734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).