7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C147H141N39O23 — CID 157485276

IUPAC7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCc1ccc([C@@]2(C)C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5ccc(=O)n(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5cncc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5cnccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5ncc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ncn5cnc(=O)c(C)c5c4=O)n3)CO2)cc1.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@]5(Cc6ccccc65)C4)no3)c(=O)c21
InChIInChI=1S/C22H21N5O4.C22H21N5O3.C21H20N6O4.C21H22N6O3.C21H19N5O3.C20H18N6O3.C20H20N6O3/c1-13-3-5-14(6-4-13)17-9-15(11-30-17)21-24-18(31-25-21)10-27-12-23-16-7-8-19(28)26(2)20(16)22(27)29;1-13-3-5-15(6-4-13)18-7-16(11-29-18)21-25-19(30-26-21)10-27-12-24-17-9-23-8-14(2)20(17)22(27)28;1-12-3-5-14(6-4-12)16-7-15(9-30-16)19-24-17(31-25-19)8-27-21(29)18-13(2)20(28)22-10-26(18)11-23-27;1-13-4-6-15(7-5-13)21(2)8-14(10-29-21)18-24-16(30-25-18)9-27-12-23-19-17(20(27)28)26(3)11-22-19;1-13-2-4-14(5-3-13)18-8-15(11-28-18)20-24-19(29-25-20)10-26-12-23-17-9-22-7-6-16(17)21(26)27;1-25-10-21-18-16(25)19(27)26(11-22-18)8-15-23-17(24-29-15)13-7-20(28-9-13)6-12-4-2-3-5-14(12)20;1-12-3-5-14(6-4-12)16-7-15(10-28-16)19-23-17(29-24-19)9-25-11-22-26-18(20(25)27)13(2)8-21-26/h3-8,12,15,17H,9-11H2,1-2H3;3-6,8-9,12,16,18H,7,10-11H2,1-2H3;3-6,10-11,15-16H,7-9H2,1-2H3;4-7,11-12,14H,8-10H2,1-3H3;2-7,9,12,15,18H,8,10-11H2,1H3;2-5,10-11,13H,6-9H2,1H3;3-6,8,11,15-16H,7,9-10H2,1-2H3/t15-,17+;16-,18+;15-,16+;14-,21+;15-,18+;13-,20-;15-,16+/m0000000/s1
InChIKeyBWQHVQNMQPIERA-DCRODTDCSA-N
MW2821.99 g/mol
LogP15.48
Rot. Bonds27

About 7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 157485276) has the molecular formula C147H141N39O23 and a molecular weight of 2821.99 g/mol. Its IUPAC name is 7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

Molecular Properties

Compound Name7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
PubChem CID157485276
Molecular FormulaC147H141N39O23
Molecular Weight2821.99 g/mol
Exact Mass2820.11
IUPAC Name7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
SMILESCc1ccc([C@@]2(C)C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5ccc(=O)n(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5cncc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5cnccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5ncc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ncn5cnc(=O)c(C)c5c4=O)n3)CO2)cc1.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@]5(Cc6ccccc65)C4)no3)c(=O)c21
InChIInChI=1S/C22H21N5O4.C22H21N5O3.C21H20N6O4.C21H22N6O3.C21H19N5O3.C20H18N6O3.C20H20N6O3/c1-13-3-5-14(6-4-13)17-9-15(11-30-17)21-24-18(31-25-21)10-27-12-23-16-7-8-19(28)26(2)20(16)22(27)29;1-13-3-5-15(6-4-13)18-7-16(11-29-18)21-25-19(30-26-21)10-27-12-24-17-9-23-8-14(2)20(17)22(27)28;1-12-3-5-14(6-4-12)16-7-15(9-30-16)19-24-17(31-25-19)8-27-21(29)18-13(2)20(28)22-10-26(18)11-23-27;1-13-4-6-15(7-5-13)21(2)8-14(10-29-21)18-24-16(30-25-18)9-27-12-23-19-17(20(27)28)26(3)11-22-19;1-13-2-4-14(5-3-13)18-8-15(11-28-18)20-24-19(29-25-20)10-26-12-23-17-9-22-7-6-16(17)21(26)27;1-25-10-21-18-16(25)19(27)26(11-22-18)8-15-23-17(24-29-15)13-7-20(28-9-13)6-12-4-2-3-5-14(12)20;1-12-3-5-14(6-4-12)16-7-15(10-28-16)19-23-17(29-24-19)9-25-11-22-26-18(20(25)27)13(2)8-21-26/h3-8,12,15,17H,9-11H2,1-2H3;3-6,8-9,12,16,18H,7,10-11H2,1-2H3;3-6,10-11,15-16H,7-9H2,1-2H3;4-7,11-12,14H,8-10H2,1-3H3;2-7,9,12,15,18H,8,10-11H2,1H3;2-5,10-11,13H,6-9H2,1H3;3-6,8,11,15-16H,7,9-10H2,1-2H3/t15-,17+;16-,18+;15-,16+;14-,21+;15-,18+;13-,20-;15-,16+/m0000000/s1
InChIKeyBWQHVQNMQPIERA-DCRODTDCSA-N
XLogP15.48
TPSA716.37 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds27
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002821.99
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Analyze 7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The IUPAC name of 7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 157485276) is 7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
What is the SMILES notation for 7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The canonical SMILES for 7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1ccc([C@@]2(C)C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5ccc(=O)n(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5cncc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5cnccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5ncc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ncn5cnc(=O)c(C)c5c4=O)n3)CO2)cc1.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@]5(Cc6ccccc65)C4)no3)c(=O)c21.
What is the InChIKey of 7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The InChIKey is BWQHVQNMQPIERA-DCRODTDCSA-N. The full InChI is InChI=1S/C22H21N5O4.C22H21N5O3.C21H20N6O4.C21H22N6O3.C21H19N5O3.C20H18N6O3.C20H20N6O3/c1-13-3-5-14(6-4-13)17-9-15(11-30-17)21-24-18(31-25-21)10-27-12-23-16-7-8-19(28)26(2)20(16)22(27)29;1-13-3-5-15(6-4-13)18-7-16(11-29-18)21-25-19(30-26-21)10-27-12-24-17-9-23-8-14(2)20(17)22(27)28;1-12-3-5-14(6-4-12)16-7-15(9-30-16)19-24-17(31-25-19)8-27-21(29)18-13(2)20(28)22-10-26(18)11-23-27;1-13-4-6-15(7-5-13)21(2)8-14(10-29-21)18-24-16(30-25-18)9-27-12-23-19-17(20(27)28)26(3)11-22-19;1-13-2-4-14(5-3-13)18-8-15(11-28-18)20-24-19(29-25-20)10-26-12-23-17-9-22-7-6-16(17)21(26)27;1-25-10-21-18-16(25)19(27)26(11-22-18)8-15-23-17(24-29-15)13-7-20(28-9-13)6-12-4-2-3-5-14(12)20;1-12-3-5-14(6-4-12)16-7-15(10-28-16)19-23-17(29-24-19)9-25-11-22-26-18(20(25)27)13(2)8-21-26/h3-8,12,15,17H,9-11H2,1-2H3;3-6,8-9,12,16,18H,7,10-11H2,1-2H3;3-6,10-11,15-16H,7-9H2,1-2H3;4-7,11-12,14H,8-10H2,1-3H3;2-7,9,12,15,18H,8,10-11H2,1H3;2-5,10-11,13H,6-9H2,1H3;3-6,8,11,15-16H,7,9-10H2,1-2H3/t15-,17+;16-,18+;15-,16+;14-,21+;15-,18+;13-,20-;15-,16+/m0000000/s1.
What are the key properties of 7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 2821.99 g/mol, XLogP of 15.48, 27 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,2-d]pyrimidine-4,6-dione;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;9-methyl-2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,6-d][1,2,4]triazine-1,8-dione;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 157485276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).