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

C25H22ClN5O4 — CID 58358105

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

2-(2-chlorophenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358105) has the molecular formula C25H22ClN5O4 and a molecular weight of 491.94 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
• PubChem CID: 58358105
• Molecular Formula: C25H22ClN5O4
• Molecular Weight: 491.94 g/mol
• Exact Mass: 491.14
• IUPAC Name: 2-(2-chlorophenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
• SMILES: CCc1noc(Cn2c(COCc3ccccc3)c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)n1
• InChI: InChI=1S/C25H22ClN5O4/c1-2-21-27-22(35-29-21)13-30-20(15-34-14-16-8-4-3-5-9-16)24-18(12-23(30)32)28-31(25(24)33)19-11-7-6-10-17(19)26/h3-12,28H,2,13-15H2,1H3
• InChIKey: SXHVBXXHRBCRAA-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 107.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.94
LogP ≤ 5	3.84
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)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?

The IUPAC name of 2-(2-chlorophenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358105) is 2-(2-chlorophenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

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

The canonical SMILES for 2-(2-chlorophenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is CCc1noc(Cn2c(COCc3ccccc3)c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)n1.

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

The InChIKey is SXHVBXXHRBCRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O4/c1-2-21-27-22(35-29-21)13-30-20(15-34-14-16-8-4-3-5-9-16)24-18(12-23(30)32)28-31(25(24)33)19-11-7-6-10-17(19)26/h3-12,28H,2,13-15H2,1H3.

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

2-(2-chlorophenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 491.94 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).