1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

C23H29N7O3S — CID 90514592

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 90514592) has the molecular formula C23H29N7O3S and a molecular weight of 483.60 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
• PubChem CID: 90514592
• Molecular Formula: C23H29N7O3S
• Molecular Weight: 483.60 g/mol
• Exact Mass: 483.21
• IUPAC Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(N3CCCC(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)C3)nn2)n1
• InChI: InChI=1S/C23H29N7O3S/c1-16-14-17(2)30(28-16)22-10-9-21(26-27-22)29-13-3-4-19(15-29)23(31)25-12-11-18-5-7-20(8-6-18)34(24,32)33/h5-10,14,19H,3-4,11-13,15H2,1-2H3,(H,25,31)(H2,24,32,33)
• InChIKey: ZGVKJRQOHPVUKK-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 136.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.60
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?

The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide (CID 90514592) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide is Cc1cc(C)n(-c2ccc(N3CCCC(C(=O)NCCc4ccc(S(N)(=O)=O)cc4)C3)nn2)n1.

What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?

The InChIKey is ZGVKJRQOHPVUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3S/c1-16-14-17(2)30(28-16)22-10-9-21(26-27-22)29-13-3-4-19(15-29)23(31)25-12-11-18-5-7-20(8-6-18)34(24,32)33/h5-10,14,19H,3-4,11-13,15H2,1-2H3,(H,25,31)(H2,24,32,33).

What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide?

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 483.60 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 90514592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).