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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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

C122H120ClFN38O19 — CID 159258622

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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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

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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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 (PubChem CID 159258622) has the molecular formula C122H120ClFN38O19 and a molecular weight of 2477.00 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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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.

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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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
• PubChem CID: 159258622
• Molecular Formula: C122H120ClFN38O19
• Molecular Weight: 2477.00 g/mol
• Exact Mass: 2474.93
• 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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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
• 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)nc5c(c4=O)C(C)N=N5)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)nn5cnc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ncc5nc(N)ccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ncn5c(=O)cccc5c4=O)n3)CO2)cc1
• InChI: InChI=1S/C21H20N6O3.C21H19N5O4.C20H18ClFN6O3.3C20H21N7O3/c1-12-2-4-13(5-3-12)17-8-14(11-29-17)20-25-19(30-26-20)10-27-21(28)15-6-7-18(22)24-16(15)9-23-27;1-13-5-7-14(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;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;1-10-3-5-12(6-4-10)14-7-13(9-29-14)17-22-15(30-26-17)8-27-19(28)16-11(2)24-25-18(16)23-20(27)21/h2-7,9,14,17H,8,10-11H2,1H3,(H2,22,24);2-8,12,15,17H,9-11H2,1H3;3-4,8-9,12,14H,5-7H2,1-2H3;2*3-6,10,14-15H,7-9H2,1-2H3,(H2,21,24);3-6,11,13-14H,7-9H2,1-2H3,(H2,21,23)/t14-,17+;15-,17+;12-,14+;2*14-,15+;11?,13-,14+/m000000/s1
• InChIKey: KWFJUHJEOBEQIF-ONNVVFOJSA-N
• XLogP: 13.61
• TPSA: 713.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 57
• Rotatable Bonds: 24
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2477.00
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	4
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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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?

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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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 (CID 159258622) 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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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.

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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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?

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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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 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)nc5c(c4=O)C(C)N=N5)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)nn5cnc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ncc5nc(N)ccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ncn5c(=O)cccc5c4=O)n3)CO2)cc1.

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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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?

The InChIKey is KWFJUHJEOBEQIF-ONNVVFOJSA-N. The full InChI is InChI=1S/C21H20N6O3.C21H19N5O4.C20H18ClFN6O3.3C20H21N7O3/c1-12-2-4-13(5-3-12)17-8-14(11-29-17)20-25-19(30-26-20)10-27-21(28)15-6-7-18(22)24-16(15)9-23-27;1-13-5-7-14(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;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;1-10-3-5-12(6-4-10)14-7-13(9-29-14)17-22-15(30-26-17)8-27-19(28)16-11(2)24-25-18(16)23-20(27)21/h2-7,9,14,17H,8,10-11H2,1H3,(H2,22,24);2-8,12,15,17H,9-11H2,1H3;3-4,8-9,12,14H,5-7H2,1-2H3;2*3-6,10,14-15H,7-9H2,1-2H3,(H2,21,24);3-6,11,13-14H,7-9H2,1-2H3,(H2,21,23)/t14-,17+;15-,17+;12-,14+;2*14-,15+;11?,13-,14+/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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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?

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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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 has a molecular weight of 2477.00 g/mol, XLogP of 13.61, 24 rotatable bonds, 4 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);6-amino-3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3H-pyrazolo[3,4-d]pyrimidin-4-one;2-amino-6-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-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 is sourced from PubChem (CID 159258622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).