[4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine

C211H159ClF7N20O20S6Si+ — CID 159755193

About [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine

[4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 159755193) has the molecular formula C211H159ClF7N20O20S6Si+ and a molecular weight of 3683.64 g/mol. Its IUPAC name is [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine
• PubChem CID: 159755193
• Molecular Formula: C211H159ClF7N20O20S6Si+
• Molecular Weight: 3683.64 g/mol
• Exact Mass: 3679.97
• IUPAC Name: [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine
• SMILES: CC(C)(C)[Si](C)(C)n1cc(-c2cccc(F)c2)c2cc(-c3ccc([N+](C)(C)C)cc3)cnc21.Clc1cc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)ccn1.FC(F)(F)Oc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.FC(F)(F)Oc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccccn2)cn3OOSc2ccccc2)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccncc2)cn3OOSc2ccccc2)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2cncnc2)cn3OOSc2ccccc2)cc1
• InChI: InChI=1S/2C32H21F3N2O4S.C30H20ClN3O3S.2C30H21N3O3S.C29H20N4O3S.C28H35FN3Si/c33-32(34,35)39-25-13-9-10-22(18-25)29-21-37(40-41-42-26-14-5-2-6-15-26)31-28(29)19-23(20-36-31)27-16-7-8-17-30(27)38-24-11-3-1-4-12-24;33-32(34,35)39-25-17-15-22(16-18-25)29-21-37(40-41-42-26-11-5-2-6-12-26)31-28(29)19-23(20-36-31)27-13-7-8-14-30(27)38-24-9-3-1-4-10-24;31-29-18-21(15-16-32-29)27-20-34(36-37-38-24-11-5-2-6-12-24)30-26(27)17-22(19-33-30)25-13-7-8-14-28(25)35-23-9-3-1-4-10-23;1-3-11-23(12-4-1)34-29-17-8-7-15-25(29)22-19-26-27(28-16-9-10-18-31-28)21-33(30(26)32-20-22)35-36-37-24-13-5-2-6-14-24;1-3-9-24(10-4-1)34-29-14-8-7-13-26(29)23-19-27-28(22-15-17-31-18-16-22)21-33(30(27)32-20-23)35-36-37-25-11-5-2-6-12-25;1-3-9-23(10-4-1)34-28-14-8-7-13-25(28)21-15-26-27(22-16-30-20-31-17-22)19-33(29(26)32-18-21)35-36-37-24-11-5-2-6-12-24;1-28(2,3)33(7,8)31-19-26(21-10-9-11-23(29)16-21)25-17-22(18-30-27(25)31)20-12-14-24(15-13-20)32(4,5)6/h2*1-21H;1-20H;2*1-21H;1-20H;9-19H,1-8H3/q;;;;;;+1
• InChIKey: UEJBFJQWZAEGLS-UHFFFAOYSA-N
• XLogP: 56.37
• TPSA: 373.79 Ų
• H-Bond Acceptors: 45
• Rotatable Bonds: 54
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3683.64
LogP ≤ 5	56.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine?

The IUPAC name of [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine (CID 159755193) is [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine.

What is the SMILES notation for [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine?

The canonical SMILES for [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine is CC(C)(C)[Si](C)(C)n1cc(-c2cccc(F)c2)c2cc(-c3ccc([N+](C)(C)C)cc3)cnc21.Clc1cc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)ccn1.FC(F)(F)Oc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.FC(F)(F)Oc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccccn2)cn3OOSc2ccccc2)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccncc2)cn3OOSc2ccccc2)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2cncnc2)cn3OOSc2ccccc2)cc1.

What is the InChIKey of [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine?

The InChIKey is UEJBFJQWZAEGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H21F3N2O4S.C30H20ClN3O3S.2C30H21N3O3S.C29H20N4O3S.C28H35FN3Si/c33-32(34,35)39-25-13-9-10-22(18-25)29-21-37(40-41-42-26-14-5-2-6-15-26)31-28(29)19-23(20-36-31)27-16-7-8-17-30(27)38-24-11-3-1-4-12-24;33-32(34,35)39-25-17-15-22(16-18-25)29-21-37(40-41-42-26-11-5-2-6-12-26)31-28(29)19-23(20-36-31)27-13-7-8-14-30(27)38-24-9-3-1-4-10-24;31-29-18-21(15-16-32-29)27-20-34(36-37-38-24-11-5-2-6-12-24)30-26(27)17-22(19-33-30)25-13-7-8-14-28(25)35-23-9-3-1-4-10-23;1-3-11-23(12-4-1)34-29-17-8-7-15-25(29)22-19-26-27(28-16-9-10-18-31-28)21-33(30(26)32-20-22)35-36-37-24-13-5-2-6-14-24;1-3-9-24(10-4-1)34-29-14-8-7-13-26(29)23-19-27-28(22-15-17-31-18-16-22)21-33(30(27)32-20-23)35-36-37-25-11-5-2-6-12-25;1-3-9-23(10-4-1)34-28-14-8-7-13-25(28)21-15-26-27(22-16-30-20-31-17-22)19-33(29(26)32-18-21)35-36-37-24-11-5-2-6-12-24;1-28(2,3)33(7,8)31-19-26(21-10-9-11-23(29)16-21)25-17-22(18-30-27(25)31)20-12-14-24(15-13-20)32(4,5)6/h2*1-21H;1-20H;2*1-21H;1-20H;9-19H,1-8H3/q;;;;;;+1.

What are the key properties of [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine?

[4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 3683.64 g/mol, XLogP of 56.37, 54 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-2-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyridin-4-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159755193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).