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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C205H180FN55O20 — CID 158934577

IUPAC1-[[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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4cnccc4c3=O)n2)c1.Cc1ccnc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c12.Cc1ccnc2ncn(Cc3nc(C4CC(O)(c5ccc6ccccc6c5)C4)no3)c(=O)c12.Cc1cncc2ncn(Cc3nc(C4CC(O)(c5ccc6ccccc6c5)C4)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6cccc(-c7ccccc7)c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccccn6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4CC(c5ccc6ccccc6c5)C4)no3)c(=O)c21
InChIInChI=1S/C26H23N7O2.2C25H21N5O3.C23H20N6O2.C23H19N5O2.C22H20N6O2.C21H20FN7O2.C21H18N6O2.C19H18N8O2/c1-31-14-27-25-23(31)26(34)33(15-28-25)13-21-29-24(30-35-21)22-19-11-32(12-20(19)22)18-9-5-8-17(10-18)16-6-3-2-4-7-16;1-15-11-26-12-20-22(15)24(31)30(14-27-20)13-21-28-23(29-33-21)18-9-25(32,10-18)19-7-6-16-4-2-3-5-17(16)8-19;1-15-8-9-26-23-21(15)24(31)30(14-27-23)13-20-28-22(29-33-20)18-11-25(32,12-18)19-7-6-16-4-2-3-5-17(16)10-19;1-28-12-24-22-20(28)23(30)29(13-25-22)11-19-26-21(27-31-19)18-9-17(10-18)16-7-6-14-4-2-3-5-15(14)8-16;1-13-7-8-24-21-19(13)23(29)28(12-25-21)11-18-26-22(27-30-18)20-16-9-15(10-17(16)20)14-5-3-2-4-6-14;1-13-3-2-4-14(7-13)27-9-16-17(10-27)20(16)21-25-19(30-26-21)11-28-12-24-18-8-23-6-5-15(18)22(28)29;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;1-26-10-22-20-18(26)21(28)27(11-23-20)9-16-24-19(25-29-16)17-14-7-13(8-15(14)17)12-5-3-2-4-6-12;1-25-9-21-18-16(25)19(28)27(10-22-18)8-14-23-17(24-29-14)15-11-6-26(7-12(11)15)13-4-2-3-5-20-13/h2-10,14-15,19-20,22H,11-13H2,1H3;2-8,11-12,14,18,32H,9-10,13H2,1H3;2-10,14,18,32H,11-13H2,1H3;2-8,12-13,17-18H,9-11H2,1H3;2-9,12,16-17,20H,10-11H2,1H3;2-8,12,16-17,20H,9-11H2,1H3;3-5,9-10,13-14,17H,6-8H2,1-2H3;2-7,10-11,14-15,17H,8-9H2,1H3;2-5,9-12,15H,6-8H2,1H3
InChIKeyJJMIQXIVXLICDP-UHFFFAOYSA-N
MW3753.06 g/mol
LogP24.13
Rot. Bonds37

About 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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 158934577) has the molecular formula C205H180FN55O20 and a molecular weight of 3753.06 g/mol. Its IUPAC name is 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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-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-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
PubChem CID158934577
Molecular FormulaC205H180FN55O20
Molecular Weight3753.06 g/mol
Exact Mass3750.47
IUPAC Name1-[[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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4cnccc4c3=O)n2)c1.Cc1ccnc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c12.Cc1ccnc2ncn(Cc3nc(C4CC(O)(c5ccc6ccccc6c5)C4)no3)c(=O)c12.Cc1cncc2ncn(Cc3nc(C4CC(O)(c5ccc6ccccc6c5)C4)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6cccc(-c7ccccc7)c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccccn6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4CC(c5ccc6ccccc6c5)C4)no3)c(=O)c21
InChIInChI=1S/C26H23N7O2.2C25H21N5O3.C23H20N6O2.C23H19N5O2.C22H20N6O2.C21H20FN7O2.C21H18N6O2.C19H18N8O2/c1-31-14-27-25-23(31)26(34)33(15-28-25)13-21-29-24(30-35-21)22-19-11-32(12-20(19)22)18-9-5-8-17(10-18)16-6-3-2-4-7-16;1-15-11-26-12-20-22(15)24(31)30(14-27-20)13-21-28-23(29-33-21)18-9-25(32,10-18)19-7-6-16-4-2-3-5-17(16)8-19;1-15-8-9-26-23-21(15)24(31)30(14-27-23)13-20-28-22(29-33-20)18-11-25(32,12-18)19-7-6-16-4-2-3-5-17(16)10-19;1-28-12-24-22-20(28)23(30)29(13-25-22)11-19-26-21(27-31-19)18-9-17(10-18)16-7-6-14-4-2-3-5-15(14)8-16;1-13-7-8-24-21-19(13)23(29)28(12-25-21)11-18-26-22(27-30-18)20-16-9-15(10-17(16)20)14-5-3-2-4-6-14;1-13-3-2-4-14(7-13)27-9-16-17(10-27)20(16)21-25-19(30-26-21)11-28-12-24-18-8-23-6-5-15(18)22(28)29;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;1-26-10-22-20-18(26)21(28)27(11-23-20)9-16-24-19(25-29-16)17-14-7-13(8-15(14)17)12-5-3-2-4-6-12;1-25-9-21-18-16(25)19(28)27(10-22-18)8-14-23-17(24-29-14)15-11-6-26(7-12(11)15)13-4-2-3-5-20-13/h2-10,14-15,19-20,22H,11-13H2,1H3;2-8,11-12,14,18,32H,9-10,13H2,1H3;2-10,14,18,32H,11-13H2,1H3;2-8,12-13,17-18H,9-11H2,1H3;2-9,12,16-17,20H,10-11H2,1H3;2-8,12,16-17,20H,9-11H2,1H3;3-5,9-10,13-14,17H,6-8H2,1-2H3;2-7,10-11,14-15,17H,8-9H2,1H3;2-5,9-12,15H,6-8H2,1H3
InChIKeyJJMIQXIVXLICDP-UHFFFAOYSA-N
XLogP24.13
TPSA871.26 Ų
H-Bond Donors2
H-Bond Acceptors75
Rotatable Bonds37
Heavy Atoms281
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003753.06
LogP ≤ 524.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1075

Analyze 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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-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-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 158934577) is 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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-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-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-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-(3-fluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1cccc(N2CC3C(C2)C3c2noc(Cn3cnc4cnccc4c3=O)n2)c1.Cc1ccnc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c12.Cc1ccnc2ncn(Cc3nc(C4CC(O)(c5ccc6ccccc6c5)C4)no3)c(=O)c12.Cc1cncc2ncn(Cc3nc(C4CC(O)(c5ccc6ccccc6c5)C4)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6cccc(-c7ccccc7)c6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CN(c6ccccn6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4CC(c5ccc6ccccc6c5)C4)no3)c(=O)c21.
What is the InChIKey of 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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The InChIKey is JJMIQXIVXLICDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2.2C25H21N5O3.C23H20N6O2.C23H19N5O2.C22H20N6O2.C21H20FN7O2.C21H18N6O2.C19H18N8O2/c1-31-14-27-25-23(31)26(34)33(15-28-25)13-21-29-24(30-35-21)22-19-11-32(12-20(19)22)18-9-5-8-17(10-18)16-6-3-2-4-7-16;1-15-11-26-12-20-22(15)24(31)30(14-27-20)13-21-28-23(29-33-21)18-9-25(32,10-18)19-7-6-16-4-2-3-5-17(16)8-19;1-15-8-9-26-23-21(15)24(31)30(14-27-23)13-20-28-22(29-33-20)18-11-25(32,12-18)19-7-6-16-4-2-3-5-17(16)10-19;1-28-12-24-22-20(28)23(30)29(13-25-22)11-19-26-21(27-31-19)18-9-17(10-18)16-7-6-14-4-2-3-5-15(14)8-16;1-13-7-8-24-21-19(13)23(29)28(12-25-21)11-18-26-22(27-30-18)20-16-9-15(10-17(16)20)14-5-3-2-4-6-14;1-13-3-2-4-14(7-13)27-9-16-17(10-27)20(16)21-25-19(30-26-21)11-28-12-24-18-8-23-6-5-15(18)22(28)29;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;1-26-10-22-20-18(26)21(28)27(11-23-20)9-16-24-19(25-29-16)17-14-7-13(8-15(14)17)12-5-3-2-4-6-12;1-25-9-21-18-16(25)19(28)27(10-22-18)8-14-23-17(24-29-14)15-11-6-26(7-12(11)15)13-4-2-3-5-20-13/h2-10,14-15,19-20,22H,11-13H2,1H3;2-8,11-12,14,18,32H,9-10,13H2,1H3;2-10,14,18,32H,11-13H2,1H3;2-8,12-13,17-18H,9-11H2,1H3;2-9,12,16-17,20H,10-11H2,1H3;2-8,12,16-17,20H,9-11H2,1H3;3-5,9-10,13-14,17H,6-8H2,1-2H3;2-7,10-11,14-15,17H,8-9H2,1H3;2-5,9-12,15H,6-8H2,1H3.
What are the key properties of 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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-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 3753.06 g/mol, XLogP of 24.13, 37 rotatable bonds, 2 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-hydroxy-3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-(3-naphthalen-2-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;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;7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(3-phenylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-pyridin-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 158934577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).