6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide

C21H29ClN6O4SSi — CID 155784147

About 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide

6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide (PubChem CID 155784147) has the molecular formula C21H29ClN6O4SSi and a molecular weight of 525.11 g/mol. Its IUPAC name is 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
• PubChem CID: 155784147
• Molecular Formula: C21H29ClN6O4SSi
• Molecular Weight: 525.11 g/mol
• Exact Mass: 524.14
• IUPAC Name: 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
• SMILES: Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OC[Si](C)(C)C(C)(C)C)n2)nc1Cl
• InChI: InChI=1S/C21H29ClN6O4SSi/c1-14-16(12-27(5)24-14)33(30,31)26-20(29)15-8-9-17(23-19(15)22)28-11-10-18(25-28)32-13-34(6,7)21(2,3)4/h8-12H,13H2,1-7H3,(H,26,29)
• InChIKey: DASNKRTYYDIKHQ-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 121.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.11
LogP ≤ 5	3.51
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': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

The IUPAC name of 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide (CID 155784147) is 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide.

What is the SMILES notation for 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

The canonical SMILES for 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide is Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OC[Si](C)(C)C(C)(C)C)n2)nc1Cl.

What is the InChIKey of 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

The InChIKey is DASNKRTYYDIKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN6O4SSi/c1-14-16(12-27(5)24-14)33(30,31)26-20(29)15-8-9-17(23-19(15)22)28-11-10-18(25-28)32-13-34(6,7)21(2,3)4/h8-12H,13H2,1-7H3,(H,26,29).

What are the key properties of 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide has a molecular weight of 525.11 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 155784147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).