1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide

C22H27N7O3S — CID 90514705

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide (PubChem CID 90514705) has the molecular formula C22H27N7O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide
• PubChem CID: 90514705
• Molecular Formula: C22H27N7O3S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.19
• IUPAC Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(N3CCCC(C(=O)Nc4cccc(NS(C)(=O)=O)c4)C3)nn2)n1
• InChI: InChI=1S/C22H27N7O3S/c1-15-12-16(2)29(26-15)21-10-9-20(24-25-21)28-11-5-6-17(14-28)22(30)23-18-7-4-8-19(13-18)27-33(3,31)32/h4,7-10,12-13,17,27H,5-6,11,14H2,1-3H3,(H,23,30)
• InChIKey: DARGYCJBLAZBLM-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 122.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	2.51
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-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide?

The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide (CID 90514705) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide is Cc1cc(C)n(-c2ccc(N3CCCC(C(=O)Nc4cccc(NS(C)(=O)=O)c4)C3)nn2)n1.

What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide?

The InChIKey is DARGYCJBLAZBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3S/c1-15-12-16(2)29(26-15)21-10-9-20(24-25-21)28-11-5-6-17(14-28)22(30)23-18-7-4-8-19(13-18)27-33(3,31)32/h4,7-10,12-13,17,27H,5-6,11,14H2,1-3H3,(H,23,30).

What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide?

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 2.51, 6 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-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 90514705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).