3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C190H167F5N56O19S — CID 158866106

IUPAC3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESC#Cc1cc(F)cc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1ccc(C2(O)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1cccc(C(F)(F)C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncccc6c5=O)n4)[C@@H]3C2)c1.Cc1ccnc2ncn(Cc3nc(C4Cc5ccccc5C4)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6F)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6F)C[C@H]54)no3)c(=O)c21.O=c1c2cccnc2ncn1Cc1nc(C2[C@H]3CN(c4ccc5ncsc5c4)C[C@@H]23)no1.[2H]c1nc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(C)c6)C[C@@H]45)no3)c(=O)c2n1C
InChIInChI=1S/C22H18FN7O2.C22H17N7O2S.C22H20N6O2.C21H20F2N6O2.2C21H17FN6O2.C21H21N7O2.C20H20N6O3.C20H17N5O2/c1-3-12-4-13(23)6-14(5-12)29-7-15-16(8-29)18(15)20-26-17(32-27-20)9-30-11-25-21-19(22(30)31)28(2)10-24-21;30-22-13-2-1-5-23-20(13)24-10-29(22)9-18-26-21(27-31-18)19-14-7-28(8-15(14)19)12-3-4-16-17(6-12)32-11-25-16;1-13-4-2-5-14(8-13)27-9-16-17(10-27)19(16)21-25-18(30-26-21)11-28-12-24-20-15(22(28)29)6-3-7-23-20;1-12-4-3-5-14(6-12)21(22,23)15-7-13(8-15)18-26-16(31-27-18)9-29-11-25-19-17(20(29)30)28(2)10-24-19;2*1-27-9-23-20-18(27)21(29)28(10-24-20)8-16-25-19(26-30-16)17-13-6-11(7-14(13)17)12-4-2-3-5-15(12)22;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(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/h1,4-6,10-11,15-16,18H,7-9H2,2H3;1-6,10-11,14-15,19H,7-9H2;2-8,12,16-17,19H,9-11H2,1H3;3-6,10-11,13,15H,7-9H2,1-2H3;2*2-6,9-10,13-14,17H,7-8H2,1H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;3-6,10-11,13,28H,7-9H2,1-2H3;2-7,11,15H,8-10H2,1H3/t15-,16+,18?;14-,15+,19?;16-,17+,19?;;2*13-,14+,17+;14-,15+,17?;;/m....00.../s1/i;;;;;;10D;;
InChIKeyJBGFGEAIYOFHPF-OFUXEAIHSA-N
MW3666.86 g/mol
LogP20.55
Rot. Bonds36

About 3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 158866106) has the molecular formula C190H167F5N56O19S and a molecular weight of 3666.86 g/mol. Its IUPAC name is 3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID158866106
Molecular FormulaC190H167F5N56O19S
Molecular Weight3666.86 g/mol
Exact Mass3664.35
IUPAC Name3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESC#Cc1cc(F)cc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1ccc(C2(O)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1cccc(C(F)(F)C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncccc6c5=O)n4)[C@@H]3C2)c1.Cc1ccnc2ncn(Cc3nc(C4Cc5ccccc5C4)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6F)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6F)C[C@H]54)no3)c(=O)c21.O=c1c2cccnc2ncn1Cc1nc(C2[C@H]3CN(c4ccc5ncsc5c4)C[C@@H]23)no1.[2H]c1nc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(C)c6)C[C@@H]45)no3)c(=O)c2n1C
InChIInChI=1S/C22H18FN7O2.C22H17N7O2S.C22H20N6O2.C21H20F2N6O2.2C21H17FN6O2.C21H21N7O2.C20H20N6O3.C20H17N5O2/c1-3-12-4-13(23)6-14(5-12)29-7-15-16(8-29)18(15)20-26-17(32-27-20)9-30-11-25-21-19(22(30)31)28(2)10-24-21;30-22-13-2-1-5-23-20(13)24-10-29(22)9-18-26-21(27-31-18)19-14-7-28(8-15(14)19)12-3-4-16-17(6-12)32-11-25-16;1-13-4-2-5-14(8-13)27-9-16-17(10-27)19(16)21-25-18(30-26-21)11-28-12-24-20-15(22(28)29)6-3-7-23-20;1-12-4-3-5-14(6-12)21(22,23)15-7-13(8-15)18-26-16(31-27-18)9-29-11-25-19-17(20(29)30)28(2)10-24-19;2*1-27-9-23-20-18(27)21(29)28(10-24-20)8-16-25-19(26-30-16)17-13-6-11(7-14(13)17)12-4-2-3-5-15(12)22;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(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/h1,4-6,10-11,15-16,18H,7-9H2,2H3;1-6,10-11,14-15,19H,7-9H2;2-8,12,16-17,19H,9-11H2,1H3;3-6,10-11,13,15H,7-9H2,1-2H3;2*2-6,9-10,13-14,17H,7-8H2,1H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;3-6,10-11,13,28H,7-9H2,1-2H3;2-7,11,15H,8-10H2,1H3/t15-,16+,18?;14-,15+,19?;16-,17+,19?;;2*13-,14+,17+;14-,15+,17?;;/m....00.../s1/i;;;;;;10D;;
InChIKeyJBGFGEAIYOFHPF-OFUXEAIHSA-N
XLogP20.55
TPSA855.96 Ų
H-Bond Donors1
H-Bond Acceptors76
Rotatable Bonds36
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003666.86
LogP ≤ 520.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1076

Analyze 3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 158866106) is 3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is C#Cc1cc(F)cc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1ccc(C2(O)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1cccc(C(F)(F)C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncccc6c5=O)n4)[C@@H]3C2)c1.Cc1ccnc2ncn(Cc3nc(C4Cc5ccccc5C4)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6F)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6F)C[C@H]54)no3)c(=O)c21.O=c1c2cccnc2ncn1Cc1nc(C2[C@H]3CN(c4ccc5ncsc5c4)C[C@@H]23)no1.[2H]c1nc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(C)c6)C[C@@H]45)no3)c(=O)c2n1C.
What is the InChIKey of 3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is JBGFGEAIYOFHPF-OFUXEAIHSA-N. The full InChI is InChI=1S/C22H18FN7O2.C22H17N7O2S.C22H20N6O2.C21H20F2N6O2.2C21H17FN6O2.C21H21N7O2.C20H20N6O3.C20H17N5O2/c1-3-12-4-13(23)6-14(5-12)29-7-15-16(8-29)18(15)20-26-17(32-27-20)9-30-11-25-21-19(22(30)31)28(2)10-24-21;30-22-13-2-1-5-23-20(13)24-10-29(22)9-18-26-21(27-31-18)19-14-7-28(8-15(14)19)12-3-4-16-17(6-12)32-11-25-16;1-13-4-2-5-14(8-13)27-9-16-17(10-27)19(16)21-25-18(30-26-21)11-28-12-24-20-15(22(28)29)6-3-7-23-20;1-12-4-3-5-14(6-12)21(22,23)15-7-13(8-15)18-26-16(31-27-18)9-29-11-25-19-17(20(29)30)28(2)10-24-19;2*1-27-9-23-20-18(27)21(29)28(10-24-20)8-16-25-19(26-30-16)17-13-6-11(7-14(13)17)12-4-2-3-5-15(12)22;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(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/h1,4-6,10-11,15-16,18H,7-9H2,2H3;1-6,10-11,14-15,19H,7-9H2;2-8,12,16-17,19H,9-11H2,1H3;3-6,10-11,13,15H,7-9H2,1-2H3;2*2-6,9-10,13-14,17H,7-8H2,1H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;3-6,10-11,13,28H,7-9H2,1-2H3;2-7,11,15H,8-10H2,1H3/t15-,16+,18?;14-,15+,19?;16-,17+,19?;;2*13-,14+,17+;14-,15+,17?;;/m....00.../s1/i;;;;;;10D;;.
What are the key properties of 3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 3666.86 g/mol, XLogP of 20.55, 36 rotatable bonds, 1 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1S,5R)-3-(1,3-benzothiazol-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;8-deuterio-7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-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-[(1R,5S)-3-(3-ethynyl-5-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(1-[[3-[(1R,5R,6S)-3-(2-fluorophenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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;3-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 158866106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).