methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

C24H23N3O4 — CID 66495974

About methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66495974) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 66495974
• Molecular Formula: C24H23N3O4
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.17
• IUPAC Name: methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(CCc2ccccc2OC)cc2c(=O)n(-c3cccc(C)c3)nc1-2
• InChI: InChI=1S/C24H23N3O4/c1-16-7-6-9-18(13-16)27-23(28)19-14-26(15-20(22(19)25-27)24(29)31-3)12-11-17-8-4-5-10-21(17)30-2/h4-10,13-15H,11-12H2,1-3H3
• InChIKey: SUMCXROFEPLZRW-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 75.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The IUPAC name of methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 66495974) is methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

What is the SMILES notation for methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The canonical SMILES for methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(CCc2ccccc2OC)cc2c(=O)n(-c3cccc(C)c3)nc1-2.

What is the InChIKey of methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

The InChIKey is SUMCXROFEPLZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16-7-6-9-18(13-16)27-23(28)19-14-26(15-20(22(19)25-27)24(29)31-3)12-11-17-8-4-5-10-21(17)30-2/h4-10,13-15H,11-12H2,1-3H3.

What are the key properties of methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate?

methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 417.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66495974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).