4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine

C239H177Cl2F4N23O21S7Si — CID 161311719

IUPAC4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
SMILESCN(C)c1ccc(-c2cnc3c(c2)c(-c2cccc(F)c2)cn3[Si](C)(C)C(C)(C)C)cc1.Clc1cc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)ccn1.Clc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.FC(F)(F)Oc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccccn2)cn3OOSc2ccccc2)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccncc2)cn3OOSc2ccccc2)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2cncnc2)cn3OOSc2ccccc2)cc1.c1ccc(SOOn2cc(-c3ccccc3-c3ccccc3)c3cc(-c4ccccc4)cnc32)cc1
InChIInChI=1S/C32H21F3N2O4S.C31H22N2O2S.2C30H20ClN3O3S.2C30H21N3O3S.C29H20N4O3S.C27H32FN3Si/c33-32(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;1-4-12-23(13-5-1)25-20-29-30(28-19-11-10-18-27(28)24-14-6-2-7-15-24)22-33(31(29)32-21-25)34-35-36-26-16-8-3-9-17-26;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;31-29-16-15-21(18-32-29)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;1-27(2,3)32(6,7)31-18-25(20-9-8-10-22(28)15-20)24-16-21(17-29-26(24)31)19-11-13-23(14-12-19)30(4)5/h1-21H;1-22H;2*1-20H;2*1-21H;1-20H;8-18H,1-7H3
InChIKeyVIZBJFZYFJNOOI-UHFFFAOYSA-N
MW4106.64 g/mol
LogP63.49
Rot. Bonds60

About 4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine

4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine (PubChem CID 161311719) has the molecular formula C239H177Cl2F4N23O21S7Si and a molecular weight of 4106.64 g/mol. Its IUPAC name is 4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
PubChem CID161311719
Molecular FormulaC239H177Cl2F4N23O21S7Si
Molecular Weight4106.64 g/mol
Exact Mass4102.06
IUPAC Name4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
SMILESCN(C)c1ccc(-c2cnc3c(c2)c(-c2cccc(F)c2)cn3[Si](C)(C)C(C)(C)C)cc1.Clc1cc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)ccn1.Clc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.FC(F)(F)Oc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccccn2)cn3OOSc2ccccc2)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccncc2)cn3OOSc2ccccc2)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2cncnc2)cn3OOSc2ccccc2)cc1.c1ccc(SOOn2cc(-c3ccccc3-c3ccccc3)c3cc(-c4ccccc4)cnc32)cc1
InChIInChI=1S/C32H21F3N2O4S.C31H22N2O2S.2C30H20ClN3O3S.2C30H21N3O3S.C29H20N4O3S.C27H32FN3Si/c33-32(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;1-4-12-23(13-5-1)25-20-29-30(28-19-11-10-18-27(28)24-14-6-2-7-15-24)22-33(31(29)32-21-25)34-35-36-26-16-8-3-9-17-26;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;31-29-16-15-21(18-32-29)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;1-27(2,3)32(6,7)31-18-25(20-9-8-10-22(28)15-20)24-16-21(17-29-26(24)31)19-11-13-23(14-12-19)30(4)5/h1-21H;1-22H;2*1-20H;2*1-21H;1-20H;8-18H,1-7H3
InChIKeyVIZBJFZYFJNOOI-UHFFFAOYSA-N
XLogP63.49
TPSA416.97 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds60
Heavy Atoms297
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004106.64
LogP ≤ 563.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

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': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine with MolForge

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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]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine (CID 161311719) is 4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[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]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine is CN(C)c1ccc(-c2cnc3c(c2)c(-c2cccc(F)c2)cn3[Si](C)(C)C(C)(C)C)cc1.Clc1cc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)ccn1.Clc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cn1.FC(F)(F)Oc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccccn2)cn3OOSc2ccccc2)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2ccncc2)cn3OOSc2ccccc2)cc1.c1ccc(Oc2ccccc2-c2cnc3c(c2)c(-c2cncnc2)cn3OOSc2ccccc2)cc1.c1ccc(SOOn2cc(-c3ccccc3-c3ccccc3)c3cc(-c4ccccc4)cnc32)cc1.
What is the InChIKey of 4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
The InChIKey is VIZBJFZYFJNOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21F3N2O4S.C31H22N2O2S.2C30H20ClN3O3S.2C30H21N3O3S.C29H20N4O3S.C27H32FN3Si/c33-32(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;1-4-12-23(13-5-1)25-20-29-30(28-19-11-10-18-27(28)24-14-6-2-7-15-24)22-33(31(29)32-21-25)34-35-36-26-16-8-3-9-17-26;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;31-29-16-15-21(18-32-29)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;1-27(2,3)32(6,7)31-18-25(20-9-8-10-22(28)15-20)24-16-21(17-29-26(24)31)19-11-13-23(14-12-19)30(4)5/h1-21H;1-22H;2*1-20H;2*1-21H;1-20H;8-18H,1-7H3.
What are the key properties of 4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
4-[1-[tert-butyl(dimethyl)silyl]-3-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine has a molecular weight of 4106.64 g/mol, XLogP of 63.49, 60 rotatable bonds, 0 hydrogen bond donors, and 51 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]-N,N-dimethylaniline;3-(2-chloro-4-pyridinyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(6-chloro-3-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-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;5-phenyl-3-(2-phenylphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161311719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).