bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C121H120ClF5N38O19S — CID 159265964

About bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 159265964) has the molecular formula C121H120ClF5N38O19S and a molecular weight of 2573.05 g/mol. Its IUPAC name is bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

Molecular Properties

• Compound Name: bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• PubChem CID: 159265964
• Molecular Formula: C121H120ClF5N38O19S
• Molecular Weight: 2573.05 g/mol
• Exact Mass: 2570.89
• IUPAC Name: bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• SMILES: Cc1cc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc(F)c1Cl.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nn5cnc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nn5cnc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nn5ncc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ncn5c(=O)cccc5c4=O)n3)CO2)cc1.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(S(C)(F)(F)(F)F)cc5)C4)no3)c(=O)c21
• InChI: InChI=1S/C21H19N5O4.C20H18ClFN6O3.C20H20F4N6O3S.3C20H21N7O3/c1-13-5-7-14(8-6-13)17-9-15(11-29-17)20-23-18(30-24-20)10-26-21(28)16-3-2-4-19(27)25(16)12-22-26;1-10-3-11(4-13(22)16(10)21)14-5-12(7-30-14)18-25-15(31-26-18)6-28-9-24-19-17(20(28)29)27(2)8-23-19;1-29-10-25-19-17(29)20(31)30(11-26-19)8-16-27-18(28-33-16)13-7-15(32-9-13)12-3-5-14(6-4-12)34(2,21,22,23)24;2*1-11-3-5-13(6-4-11)15-7-14(9-29-15)18-23-16(30-25-18)8-26-19(28)17-12(2)22-10-27(17)24-20(26)21;1-11-3-5-13(6-4-11)15-7-14(10-29-15)18-23-16(30-25-18)9-26-19(28)17-12(2)8-22-27(17)24-20(26)21/h2-8,12,15,17H,9-11H2,1H3;3-4,8-9,12,14H,5-7H2,1-2H3;3-6,10-11,13,15H,7-9H2,1-2H3;2*3-6,10,14-15H,7-9H2,1-2H3,(H2,21,24);3-6,8,14-15H,7,9-10H2,1-2H3,(H2,21,24)/t15-,17+;12-,14+;13-,15+;3*14-,15+/m000000/s1
• InChIKey: KXCIJWZYEDIQPB-WIEQTHEJSA-N
• XLogP: 14.26
• TPSA: 685.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 57
• Rotatable Bonds: 25
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2573.05
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The IUPAC name of bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 159265964) is bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

What is the SMILES notation for bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The canonical SMILES for bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1cc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc(F)c1Cl.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nn5cnc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nn5cnc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nn5ncc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ncn5c(=O)cccc5c4=O)n3)CO2)cc1.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(S(C)(F)(F)(F)F)cc5)C4)no3)c(=O)c21.

What is the InChIKey of bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The InChIKey is KXCIJWZYEDIQPB-WIEQTHEJSA-N. The full InChI is InChI=1S/C21H19N5O4.C20H18ClFN6O3.C20H20F4N6O3S.3C20H21N7O3/c1-13-5-7-14(8-6-13)17-9-15(11-29-17)20-23-18(30-24-20)10-26-21(28)16-3-2-4-19(27)25(16)12-22-26;1-10-3-11(4-13(22)16(10)21)14-5-12(7-30-14)18-25-15(31-26-18)6-28-9-24-19-17(20(28)29)27(2)8-23-19;1-29-10-25-19-17(29)20(31)30(11-26-19)8-16-27-18(28-33-16)13-7-15(32-9-13)12-3-5-14(6-4-12)34(2,21,22,23)24;2*1-11-3-5-13(6-4-11)15-7-14(9-29-15)18-23-16(30-25-18)8-26-19(28)17-12(2)22-10-27(17)24-20(26)21;1-11-3-5-13(6-4-11)15-7-14(10-29-15)18-23-16(30-25-18)9-26-19(28)17-12(2)8-22-27(17)24-20(26)21/h2-8,12,15,17H,9-11H2,1H3;3-4,8-9,12,14H,5-7H2,1-2H3;3-6,10-11,13,15H,7-9H2,1-2H3;2*3-6,10,14-15H,7-9H2,1-2H3,(H2,21,24);3-6,8,14-15H,7,9-10H2,1-2H3,(H2,21,24)/t15-,17+;12-,14+;13-,15+;3*14-,15+/m000000/s1.

What are the key properties of bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 2573.05 g/mol, XLogP of 14.26, 25 rotatable bonds, 3 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-amino-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one);2-amino-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;1-[[3-[(3R,5R)-5-(4-chloro-3-fluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[1,2-d][1,2,4]triazine-1,6-dione;7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 159265964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).