trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane

C33H37F3N4O2Si — CID 164881322

About trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 164881322) has the molecular formula C33H37F3N4O2Si and a molecular weight of 606.77 g/mol. Its IUPAC name is trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 164881322
• Molecular Formula: C33H37F3N4O2Si
• Molecular Weight: 606.77 g/mol
• Exact Mass: 606.26
• IUPAC Name: trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: CC(C)c1ccccc1-c1cc2c(Oc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)cn(COCC[Si](C)(C)C)c2cn1
• InChI: InChI=1S/C33H37F3N4O2Si/c1-22(2)25-9-7-8-10-26(25)28-17-27-29(18-37-28)40(21-41-15-16-43(4,5)6)19-30(27)42-24-13-11-23(12-14-24)32-38-31(20-39(32)3)33(34,35)36/h7-14,17-20,22H,15-16,21H2,1-6H3
• InChIKey: PRIWCQDAMFCLNM-UHFFFAOYSA-N
• XLogP: 9.35
• TPSA: 54.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.77
LogP ≤ 5	9.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane (CID 164881322) is trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane is CC(C)c1ccccc1-c1cc2c(Oc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)cn(COCC[Si](C)(C)C)c2cn1.

What is the InChIKey of trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is PRIWCQDAMFCLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N4O2Si/c1-22(2)25-9-7-8-10-26(25)28-17-27-29(18-37-28)40(21-41-15-16-43(4,5)6)19-30(27)42-24-13-11-23(12-14-24)32-38-31(20-39(32)3)33(34,35)36/h7-14,17-20,22H,15-16,21H2,1-6H3.

What are the key properties of trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 606.77 g/mol, XLogP of 9.35, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]-5-(2-propan-2-ylphenyl)pyrrolo[2,3-c]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 164881322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).