1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid

C24H23N5O5 — CID 141435084

About 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid

1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 141435084) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
• PubChem CID: 141435084
• Molecular Formula: C24H23N5O5
• Molecular Weight: 461.48 g/mol
• Exact Mass: 461.17
• IUPAC Name: 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
• SMILES: COc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(N4CCNCC4=O)cc2)CC3)cc1
• InChI: InChI=1S/C24H23N5O5/c1-34-18-8-6-17(7-9-18)29-22-19(21(26-29)24(32)33)10-12-28(23(22)31)16-4-2-15(3-5-16)27-13-11-25-14-20(27)30/h2-9,25H,10-14H2,1H3,(H,32,33)
• InChIKey: KEUIUBOJRLVLFR-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 117.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.48
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?

The IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 141435084) is 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid.

What is the SMILES notation for 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?

The canonical SMILES for 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(N4CCNCC4=O)cc2)CC3)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?

The InChIKey is KEUIUBOJRLVLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-34-18-8-6-17(7-9-18)29-22-19(21(26-29)24(32)33)10-12-28(23(22)31)16-4-2-15(3-5-16)27-13-11-25-14-20(27)30/h2-9,25H,10-14H2,1H3,(H,32,33).

What are the key properties of 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid?

1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 461.48 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 141435084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).