2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C23H17ClFN5O4 — CID 58358125

About 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358125) has the molecular formula C23H17ClFN5O4 and a molecular weight of 481.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
• PubChem CID: 58358125
• Molecular Formula: C23H17ClFN5O4
• Molecular Weight: 481.87 g/mol
• Exact Mass: 481.10
• IUPAC Name: 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
• SMILES: Cc1nc(Cn2c(COc3ccc(F)cc3)c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)no1
• InChI: InChI=1S/C23H17ClFN5O4/c1-13-26-20(28-34-13)11-29-19(12-33-15-8-6-14(25)7-9-15)22-17(10-21(29)31)27-30(23(22)32)18-5-3-2-4-16(18)24/h2-10,27H,11-12H2,1H3
• InChIKey: PNTLNACPURAKKI-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 107.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.87
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

The IUPAC name of 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358125) is 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

What is the SMILES notation for 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

The canonical SMILES for 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1nc(Cn2c(COc3ccc(F)cc3)c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)no1.

What is the InChIKey of 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

The InChIKey is PNTLNACPURAKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN5O4/c1-13-26-20(28-34-13)11-29-19(12-33-15-8-6-14(25)7-9-15)22-17(10-21(29)31)27-30(23(22)32)18-5-3-2-4-16(18)24/h2-10,27H,11-12H2,1H3.

What are the key properties of 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 481.87 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).