1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C160H150N50O16 — CID 158494625

IUPAC1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCc1ccc2c(c1)C[C@@H]1[C@@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@H]21.Cc1ccc2c(c1)C[C@H]1[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@@H]21.Cc1cccc(C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc2c1C[C@@H]1[C@@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@H]21.Cc1cccc2c1C[C@H]1[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@@H]21.Cc1cncc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5Cc6ccccc6C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4CC[C@@H](c5ccccc5)C4)no3)c(=O)c21
InChIInChI=1S/C20H20N8O2.5C20H18N6O2.2C20H20N6O2/c1-11-3-12(5-21-4-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;2*1-10-3-4-12-11(5-10)6-13-15(12)16(13)18-23-14(28-24-18)7-26-9-22-19-17(20(26)27)25(2)8-21-19;2*1-10-4-3-5-11-12(10)6-13-15(11)16(13)18-23-14(28-24-18)7-26-9-22-19-17(20(26)27)25(2)8-21-19;1-25-9-21-19-17(25)20(27)26(10-22-19)8-15-23-18(24-28-15)16-13-6-11-4-2-3-5-12(11)7-14(13)16;1-12-4-3-5-13(6-12)14-7-15(8-14)18-23-16(28-24-18)9-26-11-22-19-17(20(26)27)25(2)10-21-19;1-25-11-21-19-17(25)20(27)26(12-22-19)10-16-23-18(24-28-16)15-8-7-14(9-15)13-5-3-2-4-6-13/h3-5,9-10,13-14,16H,6-8H2,1-2H3;4*3-5,8-9,13,15-16H,6-7H2,1-2H3;2-5,9-10,13-14,16H,6-8H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3;2-6,11-12,14-15H,7-10H2,1H3/t13-,14+,16?;4*13-,15+,16+;13-,14+,16?;;14-,15-/m.1010..1/s1
InChIKeyHJCWSVQMBOIMPO-YWFHZEFJSA-N
MW3029.29 g/mol
LogP15.64
Rot. Bonds27

About 1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 158494625) has the molecular formula C160H150N50O16 and a molecular weight of 3029.29 g/mol. Its IUPAC name is 1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

Molecular Properties

Compound Name1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
PubChem CID158494625
Molecular FormulaC160H150N50O16
Molecular Weight3029.29 g/mol
Exact Mass3027.25
IUPAC Name1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCc1ccc2c(c1)C[C@@H]1[C@@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@H]21.Cc1ccc2c(c1)C[C@H]1[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@@H]21.Cc1cccc(C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc2c1C[C@@H]1[C@@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@H]21.Cc1cccc2c1C[C@H]1[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@@H]21.Cc1cncc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5Cc6ccccc6C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4CC[C@@H](c5ccccc5)C4)no3)c(=O)c21
InChIInChI=1S/C20H20N8O2.5C20H18N6O2.2C20H20N6O2/c1-11-3-12(5-21-4-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;2*1-10-3-4-12-11(5-10)6-13-15(12)16(13)18-23-14(28-24-18)7-26-9-22-19-17(20(26)27)25(2)8-21-19;2*1-10-4-3-5-11-12(10)6-13-15(11)16(13)18-23-14(28-24-18)7-26-9-22-19-17(20(26)27)25(2)8-21-19;1-25-9-21-19-17(25)20(27)26(10-22-19)8-15-23-18(24-28-15)16-13-6-11-4-2-3-5-12(11)7-14(13)16;1-12-4-3-5-13(6-12)14-7-15(8-14)18-23-16(28-24-18)9-26-11-22-19-17(20(26)27)25(2)10-21-19;1-25-11-21-19-17(25)20(27)26(12-22-19)10-16-23-18(24-28-16)15-8-7-14(9-15)13-5-3-2-4-6-13/h3-5,9-10,13-14,16H,6-8H2,1-2H3;4*3-5,8-9,13,15-16H,6-7H2,1-2H3;2-5,9-10,13-14,16H,6-8H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3;2-6,11-12,14-15H,7-10H2,1H3/t13-,14+,16?;4*13-,15+,16+;13-,14+,16?;;14-,15-/m.1010..1/s1
InChIKeyHJCWSVQMBOIMPO-YWFHZEFJSA-N
XLogP15.64
TPSA749.17 Ų
H-Bond Donors
H-Bond Acceptors66
Rotatable Bonds27
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003029.29
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1066

Analyze 1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The IUPAC name of 1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 158494625) is 1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
What is the SMILES notation for 1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The canonical SMILES for 1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1ccc2c(c1)C[C@@H]1[C@@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@H]21.Cc1ccc2c(c1)C[C@H]1[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@@H]21.Cc1cccc(C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc2c1C[C@@H]1[C@@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@H]21.Cc1cccc2c1C[C@H]1[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)[C@@H]21.Cc1cncc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2ncn(Cc3nc(C4[C@H]5Cc6ccccc6C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4CC[C@@H](c5ccccc5)C4)no3)c(=O)c21.
What is the InChIKey of 1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The InChIKey is HJCWSVQMBOIMPO-YWFHZEFJSA-N. The full InChI is InChI=1S/C20H20N8O2.5C20H18N6O2.2C20H20N6O2/c1-11-3-12(5-21-4-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;2*1-10-3-4-12-11(5-10)6-13-15(12)16(13)18-23-14(28-24-18)7-26-9-22-19-17(20(26)27)25(2)8-21-19;2*1-10-4-3-5-11-12(10)6-13-15(11)16(13)18-23-14(28-24-18)7-26-9-22-19-17(20(26)27)25(2)8-21-19;1-25-9-21-19-17(25)20(27)26(10-22-19)8-15-23-18(24-28-15)16-13-6-11-4-2-3-5-12(11)7-14(13)16;1-12-4-3-5-13(6-12)14-7-15(8-14)18-23-16(28-24-18)9-26-11-22-19-17(20(26)27)25(2)10-21-19;1-25-11-21-19-17(25)20(27)26(12-22-19)10-16-23-18(24-28-16)15-8-7-14(9-15)13-5-3-2-4-6-13/h3-5,9-10,13-14,16H,6-8H2,1-2H3;4*3-5,8-9,13,15-16H,6-7H2,1-2H3;2-5,9-10,13-14,16H,6-8H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3;2-6,11-12,14-15H,7-10H2,1H3/t13-,14+,16?;4*13-,15+,16+;13-,14+,16?;;14-,15-/m.1010..1/s1.
What are the key properties of 1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 3029.29 g/mol, XLogP of 15.64, 27 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(1aS,7aR)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,1aS,6aR)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,1aR,6aS)-5-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1R,3R)-3-phenylcyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 158494625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).