2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide

C25H37N7O4SSi — CID 159241838

About 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide

2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide (PubChem CID 159241838) has the molecular formula C25H37N7O4SSi and a molecular weight of 564.80 g/mol. Its IUPAC name is 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
• PubChem CID: 159241838
• Molecular Formula: C25H37N7O4SSi
• Molecular Weight: 564.80 g/mol
• Exact Mass: 564.27
• IUPAC Name: 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
• SMILES: [2H]C([2H])([2H])[C@@H]1CN(c2nc(-n3ccc(OCC(C)(C)C)n3)ccc2C(=O)NS(=O)(=O)c2cn(C)nc2C)[Si](C)(C)C1([2H])[2H]
• InChI: InChI=1S/C25H37N7O4SSi/c1-17-13-32(38(7,8)15-17)23-19(24(33)29-37(34,35)20-14-30(6)27-18(20)2)9-10-21(26-23)31-12-11-22(28-31)36-16-25(3,4)5/h9-12,14,17H,13,15-16H2,1-8H3,(H,29,33)/t17-/m1/s1/i1D3,15D2
• InChIKey: JCBFMINXNYOBBD-XISNKGCHSA-N
• XLogP: 3.51
• TPSA: 124.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.80
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

The IUPAC name of 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide (CID 159241838) is 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide.

What is the SMILES notation for 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

The canonical SMILES for 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide is [2H]C([2H])([2H])[C@@H]1CN(c2nc(-n3ccc(OCC(C)(C)C)n3)ccc2C(=O)NS(=O)(=O)c2cn(C)nc2C)[Si](C)(C)C1([2H])[2H].

What is the InChIKey of 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

The InChIKey is JCBFMINXNYOBBD-XISNKGCHSA-N. The full InChI is InChI=1S/C25H37N7O4SSi/c1-17-13-32(38(7,8)15-17)23-19(24(33)29-37(34,35)20-14-30(6)27-18(20)2)9-10-21(26-23)31-12-11-22(28-31)36-16-25(3,4)5/h9-12,14,17H,13,15-16H2,1-8H3,(H,29,33)/t17-/m1/s1/i1D3,15D2.

What are the key properties of 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide has a molecular weight of 564.80 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-3,3-dideuterio-2,2-dimethyl-4-(trideuteriomethyl)azasilolidin-1-yl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 159241838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).