2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C34H39F6N7O2SSi — CID 172600097

About 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 172600097) has the molecular formula C34H39F6N7O2SSi and a molecular weight of 751.87 g/mol. Its IUPAC name is 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

• Compound Name: 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• PubChem CID: 172600097
• Molecular Formula: C34H39F6N7O2SSi
• Molecular Weight: 751.87 g/mol
• Exact Mass: 751.26
• IUPAC Name: 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• SMILES: CCNS(=O)(=N[Si](C)(C)C(C)(C)C)c1ccc(Nc2cc3c(-c4ccc5c(cnn5CC(O)(C(F)(F)F)C(F)(F)F)c4C)nccc3cn2)cc1
• InChI: InChI=1S/C34H39F6N7O2SSi/c1-8-44-50(49,46-51(6,7)31(3,4)5)24-11-9-23(10-12-24)45-29-17-26-22(18-42-29)15-16-41-30(26)25-13-14-28-27(21(25)2)19-43-47(28)20-32(48,33(35,36)37)34(38,39)40/h9-19,48H,8,20H2,1-7H3,(H,42,45)(H,44,46,49)
• InChIKey: XJUOJTBQRRFOAH-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 117.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.87
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	3
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 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The IUPAC name of 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 172600097) is 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

What is the SMILES notation for 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The canonical SMILES for 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCNS(=O)(=N[Si](C)(C)C(C)(C)C)c1ccc(Nc2cc3c(-c4ccc5c(cnn5CC(O)(C(F)(F)F)C(F)(F)F)c4C)nccc3cn2)cc1.

What is the InChIKey of 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

The InChIKey is XJUOJTBQRRFOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39F6N7O2SSi/c1-8-44-50(49,46-51(6,7)31(3,4)5)24-11-9-23(10-12-24)45-29-17-26-22(18-42-29)15-16-41-30(26)25-13-14-28-27(21(25)2)19-43-47(28)20-32(48,33(35,36)37)34(38,39)40/h9-19,48H,8,20H2,1-7H3,(H,42,45)(H,44,46,49).

What are the key properties of 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?

2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 751.87 g/mol, XLogP of 8.91, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[7-[4-[N-[tert-butyl(dimethyl)silyl]-S-(ethylamino)sulfonimidoyl]anilino]-2,6-naphthyridin-1-yl]-4-methylindazol-1-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 172600097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).