1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C154H149N41O24S — CID 161470718

IUPAC1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1nccc2c(=O)n(Cc3nc([C@@H]4CO[C@@H](c5ccc(C)cc5)C4)no3)cnc12.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ccn5c(=O)ccc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5c4c(=O)n(C)c(=O)n5C)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(NCc6ccccn6)n(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nccc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c(=O)c54)n3)CO2)cc1.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc6ncsc6c5)C4)no3)c(=O)c21
InChIInChI=1S/C26H26N8O3.C23H22N4O4.C22H21N5O4.C22H21N5O3.C21H22N6O4.C20H17N7O3S.C20H20N6O3/c1-16-6-8-17(9-7-16)20-11-18(14-36-20)23-30-21(37-32-23)13-34-15-29-24-22(25(34)35)33(2)26(31-24)28-12-19-5-3-4-10-27-19;1-14-3-6-16(7-4-14)18-11-17(13-30-18)22-24-19(31-25-22)12-26-9-10-27-20(28)8-5-15(2)21(27)23(26)29;1-13-3-5-14(6-4-13)17-9-15(11-30-17)20-25-18(31-26-20)10-27-12-24-19-16(22(27)28)7-8-23-21(19)29-2;1-13-3-5-15(6-4-13)17-9-16(11-29-17)20-25-18(30-26-20)10-27-12-24-21-19(22(27)28)14(2)7-8-23-21;1-12-4-6-13(7-5-12)15-8-14(10-30-15)18-23-16(31-24-18)9-27-11-22-19-17(27)20(28)26(3)21(29)25(19)2;1-26-8-21-19-17(26)20(28)27(9-22-19)6-16-24-18(25-30-16)12-4-14(29-7-12)11-2-3-13-15(5-11)31-10-23-13;1-12-3-5-13(6-4-12)15-7-14(9-28-15)18-23-16(29-24-18)8-26-11-22-19-17(26)20(27)25(2)10-21-19/h3-10,15,18,20H,11-14H2,1-2H3,(H,28,31);3-10,17-18H,11-13H2,1-2H3;3-8,12,15,17H,9-11H2,1-2H3;3-8,12,16-17H,9-11H2,1-2H3;4-7,11,14-15H,8-10H2,1-3H3;2-3,5,8-10,12,14H,4,6-7H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3/t18-,20+;17-,18+;15-,17+;16-,17+;14-,15+;12-,14+;14-,15+/m0000000/s1
InChIKeyWDARXPZXRBXQND-JOYMCAKFSA-N
MW2990.22 g/mol
LogP17.70
Rot. Bonds32

About 1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 161470718) has the molecular formula C154H149N41O24S and a molecular weight of 2990.22 g/mol. Its IUPAC name is 1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID161470718
Molecular FormulaC154H149N41O24S
Molecular Weight2990.22 g/mol
Exact Mass2988.14
IUPAC Name1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1nccc2c(=O)n(Cc3nc([C@@H]4CO[C@@H](c5ccc(C)cc5)C4)no3)cnc12.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ccn5c(=O)ccc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5c4c(=O)n(C)c(=O)n5C)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(NCc6ccccn6)n(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nccc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c(=O)c54)n3)CO2)cc1.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc6ncsc6c5)C4)no3)c(=O)c21
InChIInChI=1S/C26H26N8O3.C23H22N4O4.C22H21N5O4.C22H21N5O3.C21H22N6O4.C20H17N7O3S.C20H20N6O3/c1-16-6-8-17(9-7-16)20-11-18(14-36-20)23-30-21(37-32-23)13-34-15-29-24-22(25(34)35)33(2)26(31-24)28-12-19-5-3-4-10-27-19;1-14-3-6-16(7-4-14)18-11-17(13-30-18)22-24-19(31-25-22)12-26-9-10-27-20(28)8-5-15(2)21(27)23(26)29;1-13-3-5-14(6-4-13)17-9-15(11-30-17)20-25-18(31-26-20)10-27-12-24-19-16(22(27)28)7-8-23-21(19)29-2;1-13-3-5-15(6-4-13)17-9-16(11-29-17)20-25-18(30-26-20)10-27-12-24-21-19(22(27)28)14(2)7-8-23-21;1-12-4-6-13(7-5-12)15-8-14(10-30-15)18-23-16(31-24-18)9-27-11-22-19-17(27)20(28)26(3)21(29)25(19)2;1-26-8-21-19-17(26)20(28)27(9-22-19)6-16-24-18(25-30-16)12-4-14(29-7-12)11-2-3-13-15(5-11)31-10-23-13;1-12-3-5-13(6-4-12)15-7-14(9-28-15)18-23-16(29-24-18)8-26-11-22-19-17(26)20(27)25(2)10-21-19/h3-10,15,18,20H,11-14H2,1-2H3,(H,28,31);3-10,17-18H,11-13H2,1-2H3;3-8,12,15,17H,9-11H2,1-2H3;3-8,12,16-17H,9-11H2,1-2H3;4-7,11,14-15H,8-10H2,1-3H3;2-3,5,8-10,12,14H,4,6-7H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3/t18-,20+;17-,18+;15-,17+;16-,17+;14-,15+;12-,14+;14-,15+/m0000000/s1
InChIKeyWDARXPZXRBXQND-JOYMCAKFSA-N
XLogP17.70
TPSA743.08 Ų
H-Bond Donors1
H-Bond Acceptors66
Rotatable Bonds32
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002990.22
LogP ≤ 517.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1066

Analyze 1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-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 1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 161470718) is 1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is COc1nccc2c(=O)n(Cc3nc([C@@H]4CO[C@@H](c5ccc(C)cc5)C4)no3)cnc12.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ccn5c(=O)ccc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5c4c(=O)n(C)c(=O)n5C)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(NCc6ccccn6)n(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nccc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c(=O)c54)n3)CO2)cc1.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc6ncsc6c5)C4)no3)c(=O)c21.
What is the InChIKey of 1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WDARXPZXRBXQND-JOYMCAKFSA-N. The full InChI is InChI=1S/C26H26N8O3.C23H22N4O4.C22H21N5O4.C22H21N5O3.C21H22N6O4.C20H17N7O3S.C20H20N6O3/c1-16-6-8-17(9-7-16)20-11-18(14-36-20)23-30-21(37-32-23)13-34-15-29-24-22(25(34)35)33(2)26(31-24)28-12-19-5-3-4-10-27-19;1-14-3-6-16(7-4-14)18-11-17(13-30-18)22-24-19(31-25-22)12-26-9-10-27-20(28)8-5-15(2)21(27)23(26)29;1-13-3-5-14(6-4-13)17-9-15(11-30-17)20-25-18(31-26-20)10-27-12-24-19-16(22(27)28)7-8-23-21(19)29-2;1-13-3-5-15(6-4-13)17-9-16(11-29-17)20-25-18(30-26-20)10-27-12-24-21-19(22(27)28)14(2)7-8-23-21;1-12-4-6-13(7-5-12)15-8-14(10-30-15)18-23-16(31-24-18)9-27-11-22-19-17(27)20(28)26(3)21(29)25(19)2;1-26-8-21-19-17(26)20(28)27(9-22-19)6-16-24-18(25-30-16)12-4-14(29-7-12)11-2-3-13-15(5-11)31-10-23-13;1-12-3-5-13(6-4-12)15-7-14(9-28-15)18-23-16(29-24-18)8-26-11-22-19-17(26)20(27)25(2)10-21-19/h3-10,15,18,20H,11-14H2,1-2H3,(H,28,31);3-10,17-18H,11-13H2,1-2H3;3-8,12,15,17H,9-11H2,1-2H3;3-8,12,16-17H,9-11H2,1-2H3;4-7,11,14-15H,8-10H2,1-3H3;2-3,5,8-10,12,14H,4,6-7H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3/t18-,20+;17-,18+;15-,17+;16-,17+;14-,15+;12-,14+;14-,15+/m0000000/s1.
What are the key properties of 1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 2990.22 g/mol, XLogP of 17.70, 32 rotatable bonds, 1 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3R,5R)-5-(1,3-benzothiazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1,3-dimethyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione;8-methoxy-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;1-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8-(pyridin-2-ylmethylamino)purin-6-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-a]pyrazine-1,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 161470718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).