2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one

C103H101N29O16 — CID 158244702

About 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one

2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one (PubChem CID 158244702) has the molecular formula C103H101N29O16 and a molecular weight of 2002.13 g/mol. Its IUPAC name is 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one.

Molecular Properties

• Compound Name: 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one
• PubChem CID: 158244702
• Molecular Formula: C103H101N29O16
• Molecular Weight: 2002.13 g/mol
• Exact Mass: 2000.80
• IUPAC Name: 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one
• SMILES: Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nc5ncccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ccc5nc(=O)cc(C)n5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ccc5nnn(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5ncc(C)c5c4=O)n3)CO2)cc1.[2H][C@]1(c2ccc(C)cc2)C[C@H](c2noc(Cn3cnc4ncn(C)c4c3=O)n2)CO1
• InChI: InChI=1S/C22H21N5O4.C21H20N6O3.3C20H20N6O3/c1-13-3-5-15(6-4-13)17-10-16(12-30-17)21-24-20(31-25-21)11-26-8-7-18-23-19(28)9-14(2)27(18)22(26)29;1-12-4-6-13(7-5-12)16-9-14(11-29-16)18-24-17(30-26-18)10-27-20(28)15-3-2-8-23-19(15)25-21(27)22;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(20(26)27)25(2)10-21-19;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;1-12-3-5-13(6-4-12)16-9-14(11-28-16)19-21-17(29-23-19)10-26-8-7-15-18(20(26)27)25(2)24-22-15/h3-9,16-17H,10-12H2,1-2H3;2-8,14,16H,9-11H2,1H3,(H2,22,23,25);3-6,10-11,14-15H,7-9H2,1-2H3;3-6,8,11,15-16H,7,9-10H2,1-2H3;3-8,14,16H,9-11H2,1-2H3/t16-,17+;14-,16+;14-,15+;15-,16+;14-,16+/m00000/s1/i;;15D
• InChIKey: GFYZLZVZWVBVMA-ZGLGZLNISA-N
• XLogP: 10.92
• TPSA: 528.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 45
• Rotatable Bonds: 20
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2002.13
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one?

The IUPAC name of 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one (CID 158244702) is 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one.

What is the SMILES notation for 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one?

The canonical SMILES for 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one is Cc1ccc([C@H]2C[C@H](c3noc(Cn4c(N)nc5ncccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ccc5nc(=O)cc(C)n5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ccc5nnn(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5ncc(C)c5c4=O)n3)CO2)cc1.[2H][C@]1(c2ccc(C)cc2)C[C@H](c2noc(Cn3cnc4ncn(C)c4c3=O)n2)CO1.

What is the InChIKey of 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one?

The InChIKey is GFYZLZVZWVBVMA-ZGLGZLNISA-N. The full InChI is InChI=1S/C22H21N5O4.C21H20N6O3.3C20H20N6O3/c1-13-3-5-15(6-4-13)17-10-16(12-30-17)21-24-20(31-25-21)11-26-8-7-18-23-19(28)9-14(2)27(18)22(26)29;1-12-4-6-13(7-5-12)16-9-14(11-29-16)18-24-17(30-26-18)10-27-20(28)15-3-2-8-23-19(15)25-21(27)22;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(20(26)27)25(2)10-21-19;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;1-12-3-5-13(6-4-12)16-9-14(11-28-16)19-21-17(29-23-19)10-26-8-7-15-18(20(26)27)25(2)24-22-15/h3-9,16-17H,10-12H2,1-2H3;2-8,14,16H,9-11H2,1H3,(H2,22,23,25);3-6,10-11,14-15H,7-9H2,1-2H3;3-6,8,11,15-16H,7,9-10H2,1-2H3;3-8,14,16H,9-11H2,1-2H3/t16-,17+;14-,16+;14-,15+;15-,16+;14-,16+/m00000/s1/i;;15D;;.

What are the key properties of 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one?

2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one has a molecular weight of 2002.13 g/mol, XLogP of 10.92, 20 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-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-deuterio-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-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;4-methyl-7-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrimido[1,2-c]pyrimidine-2,6-dione;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 158244702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).