6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

C25H25N5O8 — CID 91615483

About 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 91615483) has the molecular formula C25H25N5O8 and a molecular weight of 523.50 g/mol. Its IUPAC name is 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 91615483
• Molecular Formula: C25H25N5O8
• Molecular Weight: 523.50 g/mol
• Exact Mass: 523.17
• IUPAC Name: 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC(O)(O)C4=O)cc2)C(O)(O)C3)cc1
• InChI: InChI=1S/C25H25N5O8/c1-38-17-9-7-16(8-10-17)30-20-18(19(27-30)21(26)31)13-25(36,37)29(22(20)32)15-5-3-14(4-6-15)28-12-2-11-24(34,35)23(28)33/h3-10,34-37H,2,11-13H2,1H3,(H2,26,31)
• InChIKey: MHQBGZDIBJYJHC-UHFFFAOYSA-N
• XLogP: -0.37
• TPSA: 191.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.50
LogP ≤ 5	-0.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 91615483) is 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCC(O)(O)C4=O)cc2)C(O)(O)C3)cc1.

What is the InChIKey of 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is MHQBGZDIBJYJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O8/c1-38-17-9-7-16(8-10-17)30-20-18(19(27-30)21(26)31)13-25(36,37)29(22(20)32)15-5-3-14(4-6-15)28-12-2-11-24(34,35)23(28)33/h3-10,34-37H,2,11-13H2,1H3,(H2,26,31).

What are the key properties of 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?

6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 523.50 g/mol, XLogP of -0.37, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-5,5-dihydroxy-1-(4-methoxyphenyl)-7-oxo-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 91615483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).