5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine

C125H140BBrN18O10S2 — CID 161480642

About 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine

5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine (PubChem CID 161480642) has the molecular formula C125H140BBrN18O10S2 and a molecular weight of 2209.46 g/mol. Its IUPAC name is 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine.

Molecular Properties

• Compound Name: 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
• PubChem CID: 161480642
• Molecular Formula: C125H140BBrN18O10S2
• Molecular Weight: 2209.46 g/mol
• Exact Mass: 2206.97
• IUPAC Name: 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
• SMILES: CC1=C(c2ccc(O)cn2)c2cc(-c3ccc(CN4CCN(C)CC4)cc3)cnc2C1.CN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.COc1ccc(-c2c(C)n(S(=O)(=O)c3ccc(C)cc3)c3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc23)nc1.COc1ccc(-c2c(C)n(S(=O)(=O)c3ccc(C)cc3)c3ncc(Br)cc23)nc1.COc1ccc(C2=C(C)Cc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)nc1
• InChI: InChI=1S/C33H35N5O3S.C27H30N4O.C26H28N4O.C21H18BrN3O3S.C18H29BN2O2/c1-23-5-12-29(13-6-23)42(39,40)38-24(2)32(31-14-11-28(41-4)21-34-31)30-19-27(20-35-33(30)38)26-9-7-25(8-10-26)22-37-17-15-36(3)16-18-37;1-19-14-26-24(27(19)25-9-8-23(32-3)17-29-25)15-22(16-28-26)21-6-4-20(5-7-21)18-31-12-10-30(2)11-13-31;1-18-13-25-23(26(18)24-8-7-22(31)16-28-24)14-21(15-27-25)20-5-3-19(4-6-20)17-30-11-9-29(2)10-12-30;1-13-4-7-17(8-5-13)29(26,27)25-14(2)20(18-10-15(22)11-24-21(18)25)19-9-6-16(28-3)12-23-19;1-17(2)18(3,4)23-19(22-17)16-8-6-15(7-9-16)14-21-12-10-20(5)11-13-21/h5-14,19-21H,15-18,22H2,1-4H3;4-9,15-17H,10-14,18H2,1-3H3;3-8,14-16,31H,9-13,17H2,1-2H3;4-12H,1-3H3;6-9H,10-14H2,1-5H3
• InChIKey: WEHQIGRYZWDCFE-UHFFFAOYSA-N
• XLogP: 20.08
• TPSA: 273.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2209.46
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine?

The IUPAC name of 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine (CID 161480642) is 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine.

What is the SMILES notation for 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine?

The canonical SMILES for 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine is CC1=C(c2ccc(O)cn2)c2cc(-c3ccc(CN4CCN(C)CC4)cc3)cnc2C1.CN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.COc1ccc(-c2c(C)n(S(=O)(=O)c3ccc(C)cc3)c3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc23)nc1.COc1ccc(-c2c(C)n(S(=O)(=O)c3ccc(C)cc3)c3ncc(Br)cc23)nc1.COc1ccc(C2=C(C)Cc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)nc1.

What is the InChIKey of 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine?

The InChIKey is WEHQIGRYZWDCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O3S.C27H30N4O.C26H28N4O.C21H18BrN3O3S.C18H29BN2O2/c1-23-5-12-29(13-6-23)42(39,40)38-24(2)32(31-14-11-28(41-4)21-34-31)30-19-27(20-35-33(30)38)26-9-7-25(8-10-26)22-37-17-15-36(3)16-18-37;1-19-14-26-24(27(19)25-9-8-23(32-3)17-29-25)15-22(16-28-26)21-6-4-20(5-7-21)18-31-12-10-30(2)11-13-31;1-18-13-25-23(26(18)24-8-7-22(31)16-28-24)14-21(15-27-25)20-5-3-19(4-6-20)17-30-11-9-29(2)10-12-30;1-13-4-7-17(8-5-13)29(26,27)25-14(2)20(18-10-15(22)11-24-21(18)25)19-9-6-16(28-3)12-23-19;1-17(2)18(3,4)23-19(22-17)16-8-6-15(7-9-16)14-21-12-10-20(5)11-13-21/h5-14,19-21H,15-18,22H2,1-4H3;4-9,15-17H,10-14,18H2,1-3H3;3-8,14-16,31H,9-13,17H2,1-2H3;4-12H,1-3H3;6-9H,10-14H2,1-5H3.

What are the key properties of 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine?

5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine has a molecular weight of 2209.46 g/mol, XLogP of 20.08, 23 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(5-methoxy-2-pyridinyl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;5-(5-methoxy-2-pyridinyl)-6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;6-[6-methyl-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-3-ol;1-methyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 161480642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).