1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C211H202F5N65O21 — CID 158590770

IUPAC1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESC=Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(C2(O)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4nccc(C)c4c3=O)n2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cc1ccnc2ncn(Cc3nc(C4Cc5ccccc5C4)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc(C(C)(F)F)cc6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6cccc(C(C)(F)F)c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccccc6)CC54)no3)c(=O)c21
InChIInChI=1S/C23H22N6O2.2C22H21F2N7O2.C22H21N7O2.2C21H21N7O2.C20H19FN6O2.C20H19N7O2.C20H20N6O3.C20H17N5O2/c1-13-3-5-15(6-4-13)28-9-16-17(10-28)20(16)22-26-18(31-27-22)11-29-12-25-21-19(23(29)30)14(2)7-8-24-21;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;1-3-13-4-6-14(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;1-12-3-5-13(6-4-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-12-4-3-5-13(6-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-12-3-5-14(6-4-12)20(21)7-13(8-20)17-24-15(29-25-17)9-27-11-23-18-16(19(27)28)26(2)10-22-18;1-25-10-21-19-17(25)20(28)27(11-22-19)9-15-23-18(24-29-15)16-13-7-26(8-14(13)16)12-5-3-2-4-6-12;1-12-3-5-14(6-4-12)20(28)7-13(8-20)17-23-15(29-24-17)9-26-11-22-18-16(19(26)27)25(2)10-21-18;1-12-6-7-21-19-17(12)20(26)25(11-22-19)10-16-23-18(24-27-16)15-8-13-4-2-3-5-14(13)9-15/h3-8,12,16-17,20H,9-11H2,1-2H3;2*3-6,10-11,14-15,17H,7-9H2,1-2H3;3-7,11-12,15-16,18H,1,8-10H2,2H3;2*3-6,10-11,14-15,17H,7-9H2,1-2H3;3-6,10-11,13H,7-9H2,1-2H3;2-6,10-11,13-14,16H,7-9H2,1H3;3-6,10-11,13,28H,7-9H2,1-2H3;2-7,11,15H,8-10H2,1H3
InChIKeyHUKLHUHPONWSEF-UHFFFAOYSA-N
MW4079.36 g/mol
LogP21.30
Rot. Bonds42

About 1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 158590770) has the molecular formula C211H202F5N65O21 and a molecular weight of 4079.36 g/mol. Its IUPAC name is 1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

Molecular Properties

Compound Name1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
PubChem CID158590770
Molecular FormulaC211H202F5N65O21
Molecular Weight4079.36 g/mol
Exact Mass4076.67
IUPAC Name1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESC=Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(C2(O)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4nccc(C)c4c3=O)n2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cc1ccnc2ncn(Cc3nc(C4Cc5ccccc5C4)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc(C(C)(F)F)cc6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6cccc(C(C)(F)F)c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccccc6)CC54)no3)c(=O)c21
InChIInChI=1S/C23H22N6O2.2C22H21F2N7O2.C22H21N7O2.2C21H21N7O2.C20H19FN6O2.C20H19N7O2.C20H20N6O3.C20H17N5O2/c1-13-3-5-15(6-4-13)28-9-16-17(10-28)20(16)22-26-18(31-27-22)11-29-12-25-21-19(23(29)30)14(2)7-8-24-21;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;1-3-13-4-6-14(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;1-12-3-5-13(6-4-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-12-4-3-5-13(6-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-12-3-5-14(6-4-12)20(21)7-13(8-20)17-24-15(29-25-17)9-27-11-23-18-16(19(27)28)26(2)10-22-18;1-25-10-21-19-17(25)20(28)27(11-22-19)9-15-23-18(24-29-15)16-13-7-26(8-14(13)16)12-5-3-2-4-6-12;1-12-3-5-14(6-4-12)20(28)7-13(8-20)17-23-15(29-24-17)9-26-11-22-18-16(19(26)27)25(2)10-21-18;1-12-6-7-21-19-17(12)20(26)25(11-22-19)10-16-23-18(24-27-16)15-8-13-4-2-3-5-14(13)9-15/h3-8,12,16-17,20H,9-11H2,1-2H3;2*3-6,10-11,14-15,17H,7-9H2,1-2H3;3-7,11-12,15-16,18H,1,8-10H2,2H3;2*3-6,10-11,14-15,17H,7-9H2,1-2H3;3-6,10-11,13H,7-9H2,1-2H3;2-6,10-11,13-14,16H,7-9H2,1H3;3-6,10-11,13,28H,7-9H2,1-2H3;2-7,11,15H,8-10H2,1H3
InChIKeyHUKLHUHPONWSEF-UHFFFAOYSA-N
XLogP21.30
TPSA949.35 Ų
H-Bond Donors1
H-Bond Acceptors86
Rotatable Bonds42
Heavy Atoms302
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004079.36
LogP ≤ 521.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1086

Analyze 1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one with MolForge

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What is the IUPAC name of 1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-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-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 158590770) is 1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-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-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-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-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-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.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(C2(O)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4nccc(C)c4c3=O)n2)cc1.Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cc1ccnc2ncn(Cc3nc(C4Cc5ccccc5C4)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccc(C(C)(F)F)cc6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6cccc(C(C)(F)F)c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccccc6)CC54)no3)c(=O)c21.
What is the InChIKey of 1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The InChIKey is HUKLHUHPONWSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2.2C22H21F2N7O2.C22H21N7O2.2C21H21N7O2.C20H19FN6O2.C20H19N7O2.C20H20N6O3.C20H17N5O2/c1-13-3-5-15(6-4-13)28-9-16-17(10-28)20(16)22-26-18(31-27-22)11-29-12-25-21-19(23(29)30)14(2)7-8-24-21;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;1-3-13-4-6-14(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;1-12-3-5-13(6-4-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-12-4-3-5-13(6-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-12-3-5-14(6-4-12)20(21)7-13(8-20)17-24-15(29-25-17)9-27-11-23-18-16(19(27)28)26(2)10-22-18;1-25-10-21-19-17(25)20(28)27(11-22-19)9-15-23-18(24-29-15)16-13-7-26(8-14(13)16)12-5-3-2-4-6-12;1-12-3-5-14(6-4-12)20(28)7-13(8-20)17-23-15(29-24-17)9-26-11-22-18-16(19(26)27)25(2)10-21-18;1-12-6-7-21-19-17(12)20(26)25(11-22-19)10-16-23-18(24-27-16)15-8-13-4-2-3-5-14(13)9-15/h3-8,12,16-17,20H,9-11H2,1-2H3;2*3-6,10-11,14-15,17H,7-9H2,1-2H3;3-7,11-12,15-16,18H,1,8-10H2,2H3;2*3-6,10-11,14-15,17H,7-9H2,1-2H3;3-6,10-11,13H,7-9H2,1-2H3;2-6,10-11,13-14,16H,7-9H2,1H3;3-6,10-11,13,28H,7-9H2,1-2H3;2-7,11,15H,8-10H2,1H3.
What are the key properties of 1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 4079.36 g/mol, XLogP of 21.30, 42 rotatable bonds, 1 hydrogen bond donors, and 86 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[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-[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-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-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;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-hydroxy-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-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[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 158590770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).