7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione

C177H157ClF2N54O18 — CID 159733923

About 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione

7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione (PubChem CID 159733923) has the molecular formula C177H157ClF2N54O18 and a molecular weight of 3402.01 g/mol. Its IUPAC name is 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione.

Molecular Properties

• Compound Name: 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione
• PubChem CID: 159733923
• Molecular Formula: C177H157ClF2N54O18
• Molecular Weight: 3402.01 g/mol
• Exact Mass: 3399.27
• IUPAC Name: 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione
• SMILES: C#Cc1c(F)cc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)cc1F.CNc1nc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c2n1C.COCCNc1nc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c2n1C.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6nc(N)ccc6c5=O)n4)[C@@H]3C2)c1.Cn1c(=O)ccc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c21.Cn1c(Cl)nc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccc7c(cnn7C)c6)C[C@H]54)no3)c(=O)c21.Cn1cnc2nnn(Cc3nc([C@H]4[C@@H]5C=C(c6ccccc6)C[C@@H]54)no3)c(=O)c21
• InChI: InChI=1S/C24H25N7O3.C23H20N8O2.C23H19N5O3.C22H17F2N7O2.2C22H21N7O2.C21H17ClN6O2.C20H17N7O2/c1-30-20-22(28-24(30)25-8-9-33-2)26-13-31(23(20)32)12-18-27-21(29-34-18)19-16-10-15(11-17(16)19)14-6-4-3-5-7-14;1-29-10-24-22-20(29)23(32)31(11-25-22)9-18-27-21(28-33-18)19-15-6-13(7-16(15)19)12-3-4-17-14(5-12)8-26-30(17)2;1-27-19(29)8-7-17-21(27)23(30)28(12-24-17)11-18-25-22(26-31-18)20-15-9-14(10-16(15)20)13-5-3-2-4-6-13;1-3-12-15(23)4-11(5-16(12)24)30-6-13-14(7-30)18(13)20-27-17(33-28-20)8-31-10-26-21-19(22(31)32)29(2)9-25-21;1-23-22-26-20-18(28(22)2)21(30)29(11-24-20)10-16-25-19(27-31-16)17-14-8-13(9-15(14)17)12-6-4-3-5-7-12;1-12-3-2-4-13(7-12)28-8-15-16(9-28)19(15)21-26-18(31-27-21)10-29-11-24-20-14(22(29)30)5-6-17(23)25-20;1-27-17-19(25-21(27)22)23-10-28(20(17)29)9-15-24-18(26-30-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11;1-26-10-21-19-17(26)20(28)27(25-23-19)9-15-22-18(24-29-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11/h3-7,10,13,16-17,19H,8-9,11-12H2,1-2H3,(H,25,28);3-6,8,10-11,15-16,19H,7,9H2,1-2H3;2-9,12,15-16,20H,10-11H2,1H3;1,4-5,9-10,13-14,18H,6-8H2,2H3;3-8,11,14-15,17H,9-10H2,1-2H3,(H,23,26);2-7,11,15-16,19H,8-10H2,1H3,(H2,23,25);2-7,10,13-14,16H,8-9H2,1H3;2-7,10,13-14,16H,8-9H2,1H3/t16-,17+,19+;15-,16+,19+;15-,16+,20+;13-,14+,18?;14-,15+,17+;15-,16+,19?;2*13-,14+,16+/m000.0.01/s1
• InChIKey: NBPAPIPCVYYPCG-QSTKMQIPSA-N
• XLogP: 17.90
• TPSA: 828.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 72
• Rotatable Bonds: 37
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3402.01
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	72

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione?

The IUPAC name of 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione (CID 159733923) is 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione.

What is the SMILES notation for 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione?

The canonical SMILES for 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione is C#Cc1c(F)cc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)cc1F.CNc1nc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c2n1C.COCCNc1nc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c2n1C.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6nc(N)ccc6c5=O)n4)[C@@H]3C2)c1.Cn1c(=O)ccc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c21.Cn1c(Cl)nc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccc7c(cnn7C)c6)C[C@H]54)no3)c(=O)c21.Cn1cnc2nnn(Cc3nc([C@H]4[C@@H]5C=C(c6ccccc6)C[C@@H]54)no3)c(=O)c21.

What is the InChIKey of 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione?

The InChIKey is NBPAPIPCVYYPCG-QSTKMQIPSA-N. The full InChI is InChI=1S/C24H25N7O3.C23H20N8O2.C23H19N5O3.C22H17F2N7O2.2C22H21N7O2.C21H17ClN6O2.C20H17N7O2/c1-30-20-22(28-24(30)25-8-9-33-2)26-13-31(23(20)32)12-18-27-21(29-34-18)19-16-10-15(11-17(16)19)14-6-4-3-5-7-14;1-29-10-24-22-20(29)23(32)31(11-25-22)9-18-27-21(28-33-18)19-15-6-13(7-16(15)19)12-3-4-17-14(5-12)8-26-30(17)2;1-27-19(29)8-7-17-21(27)23(30)28(12-24-17)11-18-25-22(26-31-18)20-15-9-14(10-16(15)20)13-5-3-2-4-6-13;1-3-12-15(23)4-11(5-16(12)24)30-6-13-14(7-30)18(13)20-27-17(33-28-20)8-31-10-26-21-19(22(31)32)29(2)9-25-21;1-23-22-26-20-18(28(22)2)21(30)29(11-24-20)10-16-25-19(27-31-16)17-14-8-13(9-15(14)17)12-6-4-3-5-7-12;1-12-3-2-4-13(7-12)28-8-15-16(9-28)19(15)21-26-18(31-27-21)10-29-11-24-20-14(22(29)30)5-6-17(23)25-20;1-27-17-19(25-21(27)22)23-10-28(20(17)29)9-15-24-18(26-30-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11;1-26-10-21-19-17(26)20(28)27(25-23-19)9-15-22-18(24-29-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11/h3-7,10,13,16-17,19H,8-9,11-12H2,1-2H3,(H,25,28);3-6,8,10-11,15-16,19H,7,9H2,1-2H3;2-9,12,15-16,20H,10-11H2,1H3;1,4-5,9-10,13-14,18H,6-8H2,2H3;3-8,11,14-15,17H,9-10H2,1-2H3,(H,23,26);2-7,11,15-16,19H,8-10H2,1H3,(H2,23,25);2-7,10,13-14,16H,8-9H2,1H3;2-7,10,13-14,16H,8-9H2,1H3/t16-,17+,19+;15-,16+,19+;15-,16+,20+;13-,14+,18?;14-,15+,17+;15-,16+,19?;2*13-,14+,16+/m000.0.01/s1.

What are the key properties of 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione?

7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione has a molecular weight of 3402.01 g/mol, XLogP of 17.90, 37 rotatable bonds, 3 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-3-[[3-[(1S,5R)-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;8-chloro-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1R,5S)-3-(4-ethynyl-3,5-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(2-methoxyethylamino)-7-methyl-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-8-(methylamino)-1-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(1-methylindazol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-d]triazin-4-one;5-methyl-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione is sourced from PubChem (CID 159733923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).