1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine

C150H107F9N10O14S3 — CID 158702150

IUPAC1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.Cc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.Cn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.Cn1cc(-c2cccc(OC(F)(F)F)c2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.FC(F)(F)Oc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1
InChIInChI=1S/C32H21F3N2O4S.2C32H24N2O3S.2C27H19F3N2O2/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;1-23-11-10-12-24(19-23)30-22-34(36-37-38-27-15-6-3-7-16-27)32-29(30)20-25(21-33-32)28-17-8-9-18-31(28)35-26-13-4-2-5-14-26;1-23-16-18-24(19-17-23)30-22-34(36-37-38-27-12-6-3-7-13-27)32-29(30)20-25(21-33-32)28-14-8-9-15-31(28)35-26-10-4-2-5-11-26;1-32-17-24(18-8-7-11-21(14-18)34-27(28,29)30)23-15-19(16-31-26(23)32)22-12-5-6-13-25(22)33-20-9-3-2-4-10-20;1-32-17-24(18-11-13-21(14-12-18)34-27(28,29)30)23-15-19(16-31-26(23)32)22-9-5-6-10-25(22)33-20-7-3-2-4-8-20/h1-21H;2*2-22H,1H3;2*2-17H,1H3
InChIKeyIHRDYOAFBZAGDX-UHFFFAOYSA-N
MW2540.74 g/mol
LogP41.40
Rot. Bonds35

About 1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine

1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 158702150) has the molecular formula C150H107F9N10O14S3 and a molecular weight of 2540.74 g/mol. Its IUPAC name is 1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine
PubChem CID158702150
Molecular FormulaC150H107F9N10O14S3
Molecular Weight2540.74 g/mol
Exact Mass2538.70
IUPAC Name1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.Cc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.Cn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.Cn1cc(-c2cccc(OC(F)(F)F)c2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.FC(F)(F)Oc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1
InChIInChI=1S/C32H21F3N2O4S.2C32H24N2O3S.2C27H19F3N2O2/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;1-23-11-10-12-24(19-23)30-22-34(36-37-38-27-15-6-3-7-16-27)32-29(30)20-25(21-33-32)28-17-8-9-18-31(28)35-26-13-4-2-5-14-26;1-23-16-18-24(19-17-23)30-22-34(36-37-38-27-12-6-3-7-13-27)32-29(30)20-25(21-33-32)28-14-8-9-15-31(28)35-26-10-4-2-5-11-26;1-32-17-24(18-8-7-11-21(14-18)34-27(28,29)30)23-15-19(16-31-26(23)32)22-12-5-6-13-25(22)33-20-9-3-2-4-10-20;1-32-17-24(18-11-13-21(14-12-18)34-27(28,29)30)23-15-19(16-31-26(23)32)22-9-5-6-10-25(22)33-20-7-3-2-4-8-20/h1-21H;2*2-22H,1H3;2*2-17H,1H3
InChIKeyIHRDYOAFBZAGDX-UHFFFAOYSA-N
XLogP41.40
TPSA218.32 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds35
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002540.74
LogP ≤ 541.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'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 1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
CID 59812102
2-methyl-5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
CID 158239036
1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine
CID 140510968
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59812098
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
5-bromo-3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
CID 59812057
1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine
CID 140510966
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1-methyl-5-[2-(trifluoromethoxy)phenyl]indole-3-carboxylic acid
CID 172654697
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 11209672
3-amino-5-(4-phenoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]pyridine-4-carboximidamide
CID 129083343

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine (CID 158702150) is 1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine is Cc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.Cc1cccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.Cn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.Cn1cc(-c2cccc(OC(F)(F)F)c2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.FC(F)(F)Oc1ccc(-c2cn(OOSc3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1.
What is the InChIKey of 1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is IHRDYOAFBZAGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21F3N2O4S.2C32H24N2O3S.2C27H19F3N2O2/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;1-23-11-10-12-24(19-23)30-22-34(36-37-38-27-15-6-3-7-16-27)32-29(30)20-25(21-33-32)28-17-8-9-18-31(28)35-26-13-4-2-5-14-26;1-23-16-18-24(19-17-23)30-22-34(36-37-38-27-12-6-3-7-13-27)32-29(30)20-25(21-33-32)28-14-8-9-15-31(28)35-26-10-4-2-5-11-26;1-32-17-24(18-8-7-11-21(14-18)34-27(28,29)30)23-15-19(16-31-26(23)32)22-12-5-6-13-25(22)33-20-9-3-2-4-10-20;1-32-17-24(18-11-13-21(14-12-18)34-27(28,29)30)23-15-19(16-31-26(23)32)22-9-5-6-10-25(22)33-20-7-3-2-4-8-20/h1-21H;2*2-22H,1H3;2*2-17H,1H3.
What are the key properties of 1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine?
1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 2540.74 g/mol, XLogP of 41.40, 35 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-phenoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;1-methyl-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine;3-(3-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(4-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1-phenylsulfanylperoxy-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158702150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).