4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid

C25H25F3N4O4S — CID 134306350

IUPAC4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C25H25F3N4O4S/c1-16-6-3-4-7-17(16)22-18(25(26,27)28)10-11-19(29-22)31-37(35,36)21-9-5-8-20(30-21)32-14-12-24(2,13-15-32)23(33)34/h3-11H,12-15H2,1-2H3,(H,29,31)(H,33,34)
InChIKeyYXWTVIZVGCNKIF-UHFFFAOYSA-N
MW534.56 g/mol
LogP4.96
Rot. Bonds6

About 4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid

4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 134306350) has the molecular formula C25H25F3N4O4S and a molecular weight of 534.56 g/mol. Its IUPAC name is 4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID134306350
Molecular FormulaC25H25F3N4O4S
Molecular Weight534.56 g/mol
Exact Mass534.15
IUPAC Name4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C25H25F3N4O4S/c1-16-6-3-4-7-17(16)22-18(25(26,27)28)10-11-19(29-22)31-37(35,36)21-9-5-8-20(30-21)32-14-12-24(2,13-15-32)23(33)34/h3-11H,12-15H2,1-2H3,(H,29,31)(H,33,34)
InChIKeyYXWTVIZVGCNKIF-UHFFFAOYSA-N
XLogP4.96
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.56
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid 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 4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid (CID 134306350) is 4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1C(F)(F)F.
What is the InChIKey of 4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is YXWTVIZVGCNKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4S/c1-16-6-3-4-7-17(16)22-18(25(26,27)28)10-11-19(29-22)31-37(35,36)21-9-5-8-20(30-21)32-14-12-24(2,13-15-32)23(33)34/h3-11H,12-15H2,1-2H3,(H,29,31)(H,33,34).
What are the key properties of 4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid?
4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 534.56 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 134306350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).