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

C25H27N5O4 — CID 175000409

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

1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 175000409) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
• PubChem CID: 175000409
• Molecular Formula: C25H27N5O4
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.21
• IUPAC Name: 1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
• SMILES: COc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(N4CCN(C)CC4)cc2)CC3)cc1
• InChI: InChI=1S/C25H27N5O4/c1-27-13-15-28(16-14-27)17-3-5-18(6-4-17)29-12-11-21-22(25(32)33)26-30(23(21)24(29)31)19-7-9-20(34-2)10-8-19/h3-10H,11-16H2,1-2H3,(H,32,33)
• InChIKey: DRIYQNAMSDSIAT-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 91.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 175000409) is 1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid.

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

The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)c3c2C(=O)N(c2ccc(N4CCN(C)CC4)cc2)CC3)cc1.

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

The InChIKey is DRIYQNAMSDSIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-27-13-15-28(16-14-27)17-3-5-18(6-4-17)29-12-11-21-22(25(32)33)26-30(23(21)24(29)31)19-7-9-20(34-2)10-8-19/h3-10H,11-16H2,1-2H3,(H,32,33).

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

1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 461.52 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 175000409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).