2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione

C39H34Cl3N11O7 — CID 158238955

About 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione

2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione (PubChem CID 158238955) has the molecular formula C39H34Cl3N11O7 and a molecular weight of 875.13 g/mol. Its IUPAC name is 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione.

Molecular Properties

• Compound Name: 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione
• PubChem CID: 158238955
• Molecular Formula: C39H34Cl3N11O7
• Molecular Weight: 875.13 g/mol
• Exact Mass: 873.17
• IUPAC Name: 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione
• SMILES: Cn1cnc2c1C(=O)N(Cc1nc([C@@H]3CO[C@@H](c4ccc(Cl)cc4)C3)no1)C(=O)C2.Cn1cnc2nc(Cl)n(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21
• InChI: InChI=1S/C20H18ClN5O4.C19H16Cl2N6O3/c1-25-10-22-14-7-17(27)26(20(28)18(14)25)8-16-23-19(24-30-16)12-6-15(29-9-12)11-2-4-13(21)5-3-11;1-26-9-22-17-15(26)18(28)27(19(21)24-17)7-14-23-16(25-30-14)11-6-13(29-8-11)10-2-4-12(20)5-3-10/h2-5,10,12,15H,6-9H2,1H3;2-5,9,11,13H,6-8H2,1H3/t12-,15+;11-,13+/m00/s1
• InChIKey: GFHQUGZTAOZMEJ-RQBJKYNUSA-N
• XLogP: 5.54
• TPSA: 204.21 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.13
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione?

The IUPAC name of 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione (CID 158238955) is 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione.

What is the SMILES notation for 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione?

The canonical SMILES for 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione is Cn1cnc2c1C(=O)N(Cc1nc([C@@H]3CO[C@@H](c4ccc(Cl)cc4)C3)no1)C(=O)C2.Cn1cnc2nc(Cl)n(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21.

What is the InChIKey of 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione?

The InChIKey is GFHQUGZTAOZMEJ-RQBJKYNUSA-N. The full InChI is InChI=1S/C20H18ClN5O4.C19H16Cl2N6O3/c1-25-10-22-14-7-17(27)26(20(28)18(14)25)8-16-23-19(24-30-16)12-6-15(29-9-12)11-2-4-13(21)5-3-11;1-26-9-22-17-15(26)18(28)27(19(21)24-17)7-14-23-16(25-30-14)11-6-13(29-8-11)10-2-4-12(20)5-3-10/h2-5,10,12,15H,6-9H2,1H3;2-5,9,11,13H,6-8H2,1H3/t12-,15+;11-,13+/m00/s1.

What are the key properties of 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione?

2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione has a molecular weight of 875.13 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;5-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-7H-imidazo[4,5-c]pyridine-4,6-dione is sourced from PubChem (CID 158238955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).