6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one

C24H19ClN4O5 — CID 108809356

About 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one

6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one (PubChem CID 108809356) has the molecular formula C24H19ClN4O5 and a molecular weight of 478.89 g/mol. Its IUPAC name is 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one.

Molecular Properties

• Compound Name: 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one
• PubChem CID: 108809356
• Molecular Formula: C24H19ClN4O5
• Molecular Weight: 478.89 g/mol
• Exact Mass: 478.10
• IUPAC Name: 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one
• SMILES: COc1ccccc1-n1nc(C(=O)N2CCc3c(noc3-c3ccc(Cl)cc3)C2)c(O)cc1=O
• InChI: InChI=1S/C24H19ClN4O5/c1-33-20-5-3-2-4-18(20)29-21(31)12-19(30)22(26-29)24(32)28-11-10-16-17(13-28)27-34-23(16)14-6-8-15(25)9-7-14/h2-9,12,30H,10-11,13H2,1H3
• InChIKey: INRRQSKFFBRLNJ-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 110.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.89
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one?

The IUPAC name of 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one (CID 108809356) is 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one.

What is the SMILES notation for 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one?

The canonical SMILES for 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one is COc1ccccc1-n1nc(C(=O)N2CCc3c(noc3-c3ccc(Cl)cc3)C2)c(O)cc1=O.

What is the InChIKey of 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one?

The InChIKey is INRRQSKFFBRLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O5/c1-33-20-5-3-2-4-18(20)29-21(31)12-19(30)22(26-29)24(32)28-11-10-16-17(13-28)27-34-23(16)14-6-8-15(25)9-7-14/h2-9,12,30H,10-11,13H2,1H3.

What are the key properties of 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one?

6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one has a molecular weight of 478.89 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 108809356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).