N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

C29H36F3N5O4SSi — CID 162607584

About N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 162607584) has the molecular formula C29H36F3N5O4SSi and a molecular weight of 635.79 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 162607584
• Molecular Formula: C29H36F3N5O4SSi
• Molecular Weight: 635.79 g/mol
• Exact Mass: 635.22
• IUPAC Name: N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CC1(C)C[C@](C)(C[SiH3])CN1c1nc(-n2ccc(COCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C29H36F3N5O4SSi/c1-26(2)16-27(3,19-43)17-36(26)24-22(25(38)35-42(39,40)21-7-5-4-6-8-21)9-10-23(33-24)37-14-11-20(34-37)15-41-18-28(12-13-28)29(30,31)32/h4-11,14H,12-13,15-19H2,1-3,43H3,(H,35,38)/t27-/m0/s1
• InChIKey: DZDIIGTXJMNEED-MHZLTWQESA-N
• XLogP: 4.02
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.79
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 162607584) is N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is CC1(C)C[C@](C)(C[SiH3])CN1c1nc(-n2ccc(COCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1.

What is the InChIKey of N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is DZDIIGTXJMNEED-MHZLTWQESA-N. The full InChI is InChI=1S/C29H36F3N5O4SSi/c1-26(2)16-27(3,19-43)17-36(26)24-22(25(38)35-42(39,40)21-7-5-4-6-8-21)9-10-23(33-24)37-14-11-20(34-37)15-41-18-28(12-13-28)29(30,31)32/h4-11,14H,12-13,15-19H2,1-3,43H3,(H,35,38)/t27-/m0/s1.

What are the key properties of N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?

N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 635.79 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethyl-4-(silylmethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 162607584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).