1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C25H28N6O5S — CID 23648156

IUPAC1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4S(N)(=O)=O)CC2)CC3)cc1
InChIInChI=1S/C25H28N6O5S/c1-36-18-8-6-17(7-9-18)31-23-19(22(28-31)24(26)32)12-15-30(25(23)33)16-10-13-29(14-11-16)20-4-2-3-5-21(20)37(27,34)35/h2-9,16H,10-15H2,1H3,(H2,26,32)(H2,27,34,35)
InChIKeyYJUJJFRSUPPGHE-UHFFFAOYSA-N
MW524.60 g/mol
LogP1.29
Rot. Bonds6

About 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 23648156) has the molecular formula C25H28N6O5S and a molecular weight of 524.60 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID23648156
Molecular FormulaC25H28N6O5S
Molecular Weight524.60 g/mol
Exact Mass524.18
IUPAC Name1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4S(N)(=O)=O)CC2)CC3)cc1
InChIInChI=1S/C25H28N6O5S/c1-36-18-8-6-17(7-9-18)31-23-19(22(28-31)24(26)32)12-15-30(25(23)33)16-10-13-29(14-11-16)20-4-2-3-5-21(20)37(27,34)35/h2-9,16H,10-15H2,1H3,(H2,26,32)(H2,27,34,35)
InChIKeyYJUJJFRSUPPGHE-UHFFFAOYSA-N
XLogP1.29
TPSA153.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.60
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 23648156) is 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4S(N)(=O)=O)CC2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is YJUJJFRSUPPGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O5S/c1-36-18-8-6-17(7-9-18)31-23-19(22(28-31)24(26)32)12-15-30(25(23)33)16-10-13-29(14-11-16)20-4-2-3-5-21(20)37(27,34)35/h2-9,16H,10-15H2,1H3,(H2,26,32)(H2,27,34,35).
What are the key properties of 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 524.60 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-7-oxo-6-[1-(2-sulfamoylphenyl)piperidin-4-yl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 23648156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).