2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide

C20H27ClN6O4SSi — CID 149098371

About 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide

2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 149098371) has the molecular formula C20H27ClN6O4SSi and a molecular weight of 511.08 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide
• PubChem CID: 149098371
• Molecular Formula: C20H27ClN6O4SSi
• Molecular Weight: 511.08 g/mol
• Exact Mass: 510.13
• IUPAC Name: 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide
• SMILES: Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCCC[Si](C)(C)C)n2)nc1Cl
• InChI: InChI=1S/C20H27ClN6O4SSi/c1-14-16(13-26(2)23-14)32(29,30)25-20(28)15-7-8-17(22-19(15)21)27-10-9-18(24-27)31-11-6-12-33(3,4)5/h7-10,13H,6,11-12H2,1-5H3,(H,25,28)
• InChIKey: QUAYKCORXDBSMP-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 121.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.08
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide (CID 149098371) is 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide is Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCCC[Si](C)(C)C)n2)nc1Cl.

What is the InChIKey of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide?

The InChIKey is QUAYKCORXDBSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN6O4SSi/c1-14-16(13-26(2)23-14)32(29,30)25-20(28)15-7-8-17(22-19(15)21)27-10-9-18(24-27)31-11-6-12-33(3,4)5/h7-10,13H,6,11-12H2,1-5H3,(H,25,28).

What are the key properties of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide?

2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 511.08 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-trimethylsilylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 149098371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).