N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C26H36F3N7O3SSi — CID 155784144

About N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 155784144) has the molecular formula C26H36F3N7O3SSi and a molecular weight of 611.77 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 155784144
• Molecular Formula: C26H36F3N7O3SSi
• Molecular Weight: 611.77 g/mol
• Exact Mass: 611.23
• IUPAC Name: N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc([Si](C)(C)CCC(F)(F)F)n2)nc1N1C[C@@H](C)CC1(C)C
• InChI: InChI=1S/C26H36F3N7O3SSi/c1-17-14-25(3,4)35(15-17)23-19(24(37)33-40(38,39)20-16-34(5)31-18(20)2)8-9-21(30-23)36-12-10-22(32-36)41(6,7)13-11-26(27,28)29/h8-10,12,16-17H,11,13-15H2,1-7H3,(H,33,37)/t17-/m0/s1
• InChIKey: WZJHLAPBIDWHLD-KRWDZBQOSA-N
• XLogP: 3.92
• TPSA: 115.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.77
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 155784144) is N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc([Si](C)(C)CCC(F)(F)F)n2)nc1N1C[C@@H](C)CC1(C)C.

What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is WZJHLAPBIDWHLD-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H36F3N7O3SSi/c1-17-14-25(3,4)35(15-17)23-19(24(37)33-40(38,39)20-16-34(5)31-18(20)2)8-9-21(30-23)36-12-10-22(32-36)41(6,7)13-11-26(27,28)29/h8-10,12,16-17H,11,13-15H2,1-7H3,(H,33,37)/t17-/m0/s1.

What are the key properties of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 611.77 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[dimethyl(3,3,3-trifluoropropyl)silyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155784144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).