7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile

C178H148ClF6N51O16 — CID 159776144

About 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile

7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile (PubChem CID 159776144) has the molecular formula C178H148ClF6N51O16 and a molecular weight of 3406.92 g/mol. Its IUPAC name is 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile.

Molecular Properties

• Compound Name: 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile
• PubChem CID: 159776144
• Molecular Formula: C178H148ClF6N51O16
• Molecular Weight: 3406.92 g/mol
• Exact Mass: 3404.19
• IUPAC Name: 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile
• SMILES: Cc1c(F)cc(C2=C[C@@H]3[C@H](C2)[C@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1c(F)cc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)cc1F.Cc1cc(F)cc(C2=C[C@@H]3[C@H](C2)[C@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cc1ccc(C2=C[C@@H]3[C@H](C2)[C@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c(F)c1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6nc(Cl)ccc6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccc7c(c6)N=CC7)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccc7c(c6)C=NC7)C[C@@H]54)no3)c(=O)c21.N#Cc1ccc2c(=O)n(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)cnc2n1
• InChI: InChI=1S/2C23H19N7O2.C23H16N6O2.C22H19ClN6O2.C22H18F2N6O2.2C22H19FN6O2.C21H19F2N7O2/c1-29-10-25-22-20(29)23(31)30(11-26-22)9-18-27-21(28-32-18)19-16-5-14(6-17(16)19)12-2-3-13-7-24-8-15(13)4-12;1-29-10-25-22-20(29)23(31)30(11-26-22)9-18-27-21(28-32-18)19-15-6-14(7-16(15)19)13-3-2-12-4-5-24-17(12)8-13;24-10-15-6-7-16-21(26-15)25-12-29(23(16)30)11-19-27-22(28-31-19)20-17-8-14(9-18(17)20)13-4-2-1-3-5-13;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;1-10-15(23)5-12(6-16(10)24)11-3-13-14(4-11)18(13)20-27-17(32-28-20)7-30-9-26-21-19(22(30)31)29(2)8-25-21;1-11-3-12(5-14(23)4-11)13-6-15-16(7-13)18(15)20-26-17(31-27-20)8-29-10-25-21-19(22(29)30)28(2)9-24-21;1-11-3-4-13(16(23)5-11)12-6-14-15(7-12)18(14)20-26-17(31-27-20)8-29-10-25-21-19(22(29)30)28(2)9-24-21;1-10-14(22)3-11(4-15(10)23)29-5-12-13(6-29)17(12)19-26-16(32-27-19)7-30-9-25-20-18(21(30)31)28(2)8-24-20/h2-5,8,10-11,16-17,19H,6-7,9H2,1H3;2-3,5-6,8,10-11,15-16,19H,4,7,9H2,1H3;1-8,12,17-18,20H,9,11H2;2-7,11,15-16,19H,8-10H2,1H3;3,5-6,8-9,13-14,18H,4,7H2,1-2H3;3-6,9-10,15-16,18H,7-8H2,1-2H3;3-6,9-10,14-15,18H,7-8H2,1-2H3;3-4,8-9,12-13,17H,5-7H2,1-2H3/t16-,17+,19+;15-,16+,19+;17-,18+,20+;15-,16+,19?;13-,14+,18+;15-,16+,18+;14-,15+,18+;12-,13+,17?/m100.111./s1
• InChIKey: NGTMWHGZWNHNHP-ANQIKQPISA-N
• XLogP: 21.51
• TPSA: 778.17 Ų
• H-Bond Acceptors: 67
• Rotatable Bonds: 32
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3406.92
LogP ≤ 5	21.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	67

Frequently Asked Questions

What is the IUPAC name of 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile?

The IUPAC name of 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile (CID 159776144) is 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile.

What is the SMILES notation for 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile?

The canonical SMILES for 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile is Cc1c(F)cc(C2=C[C@@H]3[C@H](C2)[C@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1c(F)cc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)cc1F.Cc1cc(F)cc(C2=C[C@@H]3[C@H](C2)[C@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cc1ccc(C2=C[C@@H]3[C@H](C2)[C@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c(F)c1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6nc(Cl)ccc6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccc7c(c6)N=CC7)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccc7c(c6)C=NC7)C[C@@H]54)no3)c(=O)c21.N#Cc1ccc2c(=O)n(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)cnc2n1.

What is the InChIKey of 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile?

The InChIKey is NGTMWHGZWNHNHP-ANQIKQPISA-N. The full InChI is InChI=1S/2C23H19N7O2.C23H16N6O2.C22H19ClN6O2.C22H18F2N6O2.2C22H19FN6O2.C21H19F2N7O2/c1-29-10-25-22-20(29)23(31)30(11-26-22)9-18-27-21(28-32-18)19-16-5-14(6-17(16)19)12-2-3-13-7-24-8-15(13)4-12;1-29-10-25-22-20(29)23(31)30(11-26-22)9-18-27-21(28-32-18)19-15-6-14(7-16(15)19)13-3-2-12-4-5-24-17(12)8-13;24-10-15-6-7-16-21(26-15)25-12-29(23(16)30)11-19-27-22(28-31-19)20-17-8-14(9-18(17)20)13-4-2-1-3-5-13;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;1-10-15(23)5-12(6-16(10)24)11-3-13-14(4-11)18(13)20-27-17(32-28-20)7-30-9-26-21-19(22(30)31)29(2)8-25-21;1-11-3-12(5-14(23)4-11)13-6-15-16(7-13)18(15)20-26-17(31-27-20)8-29-10-25-21-19(22(29)30)28(2)9-24-21;1-11-3-4-13(16(23)5-11)12-6-14-15(7-12)18(14)20-26-17(31-27-20)8-29-10-25-21-19(22(29)30)28(2)9-24-21;1-10-14(22)3-11(4-15(10)23)29-5-12-13(6-29)17(12)19-26-16(32-27-19)7-30-9-25-20-18(21(30)31)28(2)8-24-20/h2-5,8,10-11,16-17,19H,6-7,9H2,1H3;2-3,5-6,8,10-11,15-16,19H,4,7,9H2,1H3;1-8,12,17-18,20H,9,11H2;2-7,11,15-16,19H,8-10H2,1H3;3,5-6,8-9,13-14,18H,4,7H2,1-2H3;3-6,9-10,15-16,18H,7-8H2,1-2H3;3-6,9-10,14-15,18H,7-8H2,1-2H3;3-4,8-9,12-13,17H,5-7H2,1-2H3/t16-,17+,19+;15-,16+,19+;17-,18+,20+;15-,16+,19?;13-,14+,18+;15-,16+,18+;14-,15+,18+;12-,13+,17?/m100.111./s1.

What are the key properties of 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile?

7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile has a molecular weight of 3406.92 g/mol, XLogP of 21.51, 32 rotatable bonds, 0 hydrogen bond donors, and 67 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-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;1-[[3-[(1S,5R)-3-(3,5-difluoro-4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(2-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3-fluoro-5-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(1H-isoindol-5-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;4-oxo-3-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 159776144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).