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

C23H20N4O4 — CID 66495921

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

methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 66495921) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 66495921
• Molecular Formula: C23H20N4O4
• Molecular Weight: 416.44 g/mol
• Exact Mass: 416.15
• IUPAC Name: methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(-c2ccc(NC(C)=O)cc2)cc2c(=O)n(-c3cccc(C)c3)nc1-2
• InChI: InChI=1S/C23H20N4O4/c1-14-5-4-6-18(11-14)27-22(29)19-12-26(13-20(21(19)25-27)23(30)31-3)17-9-7-16(8-10-17)24-15(2)28/h4-13H,1-3H3,(H,24,28)
• InChIKey: PUQISWZCQBAVJE-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 95.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.44
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate (CID 66495921) is methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate.

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

The canonical SMILES for methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(-c2ccc(NC(C)=O)cc2)cc2c(=O)n(-c3cccc(C)c3)nc1-2.

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

The InChIKey is PUQISWZCQBAVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-14-5-4-6-18(11-14)27-22(29)19-12-26(13-20(21(19)25-27)23(30)31-3)17-9-7-16(8-10-17)24-15(2)28/h4-13H,1-3H3,(H,24,28).

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

methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 416.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(4-acetamidophenyl)-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 66495921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).