5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol

C107H102Br4N12O12S2 — CID 161322855

About 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol

5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (PubChem CID 161322855) has the molecular formula C107H102Br4N12O12S2 and a molecular weight of 2131.81 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

Molecular Properties

• Compound Name: 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
• PubChem CID: 161322855
• Molecular Formula: C107H102Br4N12O12S2
• Molecular Weight: 2131.81 g/mol
• Exact Mass: 2126.39
• IUPAC Name: 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol
• SMILES: Brc1cnc2[nH]cc(-c3ccc(OCCCN4CCCCC4)cc3)c2c1.COc1cc(-c2cnc3[nH]cc(-c4ccc(OCCCN5CCCCC5)cc4)c3c2)ccc1O.Cc1ccc(S(=O)(=O)n2cc(-c3ccc(O)cc3)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ccc(OC4CCCCO4)cc3)c3cc(Br)cnc32)cc1.Oc1ccc(-c2c[nH]c3ncc(Br)cc23)cc1
• InChI: InChI=1S/C28H31N3O3.C25H23BrN2O4S.C21H24BrN3O.C20H15BrN2O3S.C13H9BrN2O/c1-33-27-17-21(8-11-26(27)32)22-16-24-25(19-30-28(24)29-18-22)20-6-9-23(10-7-20)34-15-5-14-31-12-3-2-4-13-31;1-17-5-11-21(12-6-17)33(29,30)28-16-23(22-14-19(26)15-27-25(22)28)18-7-9-20(10-8-18)32-24-4-2-3-13-31-24;22-17-13-19-20(15-24-21(19)23-14-17)16-5-7-18(8-6-16)26-12-4-11-25-9-2-1-3-10-25;1-13-2-8-17(9-3-13)27(25,26)23-12-19(14-4-6-16(24)7-5-14)18-10-15(21)11-22-20(18)23;14-9-5-11-12(7-16-13(11)15-6-9)8-1-3-10(17)4-2-8/h6-11,16-19,32H,2-5,12-15H2,1H3,(H,29,30);5-12,14-16,24H,2-4,13H2,1H3;5-8,13-15H,1-4,9-12H2,(H,23,24);2-12,24H,1H3;1-7,17H,(H,15,16)
• InChIKey: VKJKBDMNLWRYOO-UHFFFAOYSA-N
• XLogP: 25.44
• TPSA: 303.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2131.81
LogP ≤ 5	25.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?

The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol (CID 161322855) is 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol.

What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?

The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is Brc1cnc2[nH]cc(-c3ccc(OCCCN4CCCCC4)cc3)c2c1.COc1cc(-c2cnc3[nH]cc(-c4ccc(OCCCN5CCCCC5)cc4)c3c2)ccc1O.Cc1ccc(S(=O)(=O)n2cc(-c3ccc(O)cc3)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ccc(OC4CCCCO4)cc3)c3cc(Br)cnc32)cc1.Oc1ccc(-c2c[nH]c3ncc(Br)cc23)cc1.

What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?

The InChIKey is VKJKBDMNLWRYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3.C25H23BrN2O4S.C21H24BrN3O.C20H15BrN2O3S.C13H9BrN2O/c1-33-27-17-21(8-11-26(27)32)22-16-24-25(19-30-28(24)29-18-22)20-6-9-23(10-7-20)34-15-5-14-31-12-3-2-4-13-31;1-17-5-11-21(12-6-17)33(29,30)28-16-23(22-14-19(26)15-27-25(22)28)18-7-9-20(10-8-18)32-24-4-2-3-13-31-24;22-17-13-19-20(15-24-21(19)23-14-17)16-5-7-18(8-6-16)26-12-4-11-25-9-2-1-3-10-25;1-13-2-8-17(9-3-13)27(25,26)23-12-19(14-4-6-16(24)7-5-14)18-10-15(21)11-22-20(18)23;14-9-5-11-12(7-16-13(11)15-6-9)8-1-3-10(17)4-2-8/h6-11,16-19,32H,2-5,12-15H2,1H3,(H,29,30);5-12,14-16,24H,2-4,13H2,1H3;5-8,13-15H,1-4,9-12H2,(H,23,24);2-12,24H,1H3;1-7,17H,(H,15,16).

What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol?

5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol has a molecular weight of 2131.81 g/mol, XLogP of 25.44, 23 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(oxan-2-yloxy)phenyl]pyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;5-bromo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol;2-methoxy-4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenol is sourced from PubChem (CID 161322855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).