3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine

C143H109FN10O13S3 — CID 159161171

IUPAC3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
SMILESCOc1cccc(-c2cn(C)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.COc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cc1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cn1cc(-c2ccc(F)cc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21
InChIInChI=1S/C32H24N2O4S.C32H24N2O3S.C27H22N2O2.C26H19FN2O.C26H20N2O3S/c1-35-30-18-10-9-17-27(30)29-22-34(37-38-39-25-14-6-3-7-15-25)32-28(29)20-23(21-33-32)26-16-8-11-19-31(26)36-24-12-4-2-5-13-24;1-23-12-8-9-17-27(23)30-22-34(36-37-38-26-15-6-3-7-16-26)32-29(30)20-24(21-33-32)28-18-10-11-19-31(28)35-25-13-4-2-5-14-25;1-29-18-25(19-9-8-12-22(15-19)30-2)24-16-20(17-28-27(24)29)23-13-6-7-14-26(23)31-21-10-4-3-5-11-21;1-29-17-24(18-11-13-20(27)14-12-18)23-15-19(16-28-26(23)29)22-9-5-6-10-25(22)30-21-7-3-2-4-8-21;1-19-18-28(30-31-32-22-12-6-3-7-13-22)26-24(19)16-20(17-27-26)23-14-8-9-15-25(23)29-21-10-4-2-5-11-21/h2-22H,1H3;2-22H,1H3;3-18H,1-2H3;2-17H,1H3;2-18H,1H3
InChIKeyKKMQJAIJFAGVSR-UHFFFAOYSA-N
MW2290.70 g/mol
LogP37.20
Rot. Bonds33

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

3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine (PubChem CID 159161171) has the molecular formula C143H109FN10O13S3 and a molecular weight of 2290.70 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
PubChem CID159161171
Molecular FormulaC143H109FN10O13S3
Molecular Weight2290.70 g/mol
Exact Mass2288.73
IUPAC Name3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
SMILESCOc1cccc(-c2cn(C)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.COc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cc1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cn1cc(-c2ccc(F)cc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21
InChIInChI=1S/C32H24N2O4S.C32H24N2O3S.C27H22N2O2.C26H19FN2O.C26H20N2O3S/c1-35-30-18-10-9-17-27(30)29-22-34(37-38-39-25-14-6-3-7-15-25)32-28(29)20-23(21-33-32)26-16-8-11-19-31(26)36-24-12-4-2-5-13-24;1-23-12-8-9-17-27(23)30-22-34(36-37-38-26-15-6-3-7-16-26)32-29(30)20-24(21-33-32)28-18-10-11-19-31(28)35-25-13-4-2-5-14-25;1-29-18-25(19-9-8-12-22(15-19)30-2)24-16-20(17-28-27(24)29)23-13-6-7-14-26(23)31-21-10-4-3-5-11-21;1-29-17-24(18-11-13-20(27)14-12-18)23-15-19(16-28-26(23)29)22-9-5-6-10-25(22)30-21-7-3-2-4-8-21;1-19-18-28(30-31-32-22-12-6-3-7-13-22)26-24(19)16-20(17-27-26)23-14-8-9-15-25(23)29-21-10-4-2-5-11-21/h2-22H,1H3;2-22H,1H3;3-18H,1-2H3;2-17H,1H3;2-18H,1H3
InChIKeyKKMQJAIJFAGVSR-UHFFFAOYSA-N
XLogP37.20
TPSA209.09 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms170
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002290.70
LogP ≤ 537.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine (CID 159161171) is 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine is COc1cccc(-c2cn(C)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.COc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cc1ccccc1-c1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cc1cn(OOSc2ccccc2)c2ncc(-c3ccccc3Oc3ccccc3)cc12.Cn1cc(-c2ccc(F)cc2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
The InChIKey is KKMQJAIJFAGVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O4S.C32H24N2O3S.C27H22N2O2.C26H19FN2O.C26H20N2O3S/c1-35-30-18-10-9-17-27(30)29-22-34(37-38-39-25-14-6-3-7-15-25)32-28(29)20-23(21-33-32)26-16-8-11-19-31(26)36-24-12-4-2-5-13-24;1-23-12-8-9-17-27(23)30-22-34(36-37-38-26-15-6-3-7-16-26)32-29(30)20-24(21-33-32)28-18-10-11-19-31(28)35-25-13-4-2-5-14-25;1-29-18-25(19-9-8-12-22(15-19)30-2)24-16-20(17-28-27(24)29)23-13-6-7-14-26(23)31-21-10-4-3-5-11-21;1-29-17-24(18-11-13-20(27)14-12-18)23-15-19(16-28-26(23)29)22-9-5-6-10-25(22)30-21-7-3-2-4-8-21;1-19-18-28(30-31-32-22-12-6-3-7-13-22)26-24(19)16-20(17-27-26)23-14-8-9-15-25(23)29-21-10-4-2-5-11-21/h2-22H,1H3;2-22H,1H3;3-18H,1-2H3;2-17H,1H3;2-18H,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine?
3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine has a molecular weight of 2290.70 g/mol, XLogP of 37.20, 33 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(3-methoxyphenyl)-1-methyl-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-methyl-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159161171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).