3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine

C103H86Br5I3N14O8S4 — CID 159324528

About 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine

3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 159324528) has the molecular formula C103H86Br5I3N14O8S4 and a molecular weight of 2556.41 g/mol. Its IUPAC name is 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine
• PubChem CID: 159324528
• Molecular Formula: C103H86Br5I3N14O8S4
• Molecular Weight: 2556.41 g/mol
• Exact Mass: 2549.87
• IUPAC Name: 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine
• SMILES: Brc1cnc2c(c1)C(I)=CC2.Brc1cnc2c(c1)C=CC2.Cc1ccc(S(=O)(=O)n2c(C)c(-c3ccc4[nH]ccc4c3)c3cc(-c4ccc(CN5CCN(C)CC5)cc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2c(C)c(-c3ccc4[nH]ccc4c3)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2c(C)c(I)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1
• InChI: InChI=1S/C35H35N5O2S.C23H18BrN3O2S.C15H12BrIN2O2S.C14H10BrIN2O2S.C8H5BrIN.C8H6BrN/c1-24-4-11-31(12-5-24)43(41,42)40-25(2)34(29-10-13-33-28(20-29)14-15-36-33)32-21-30(22-37-35(32)40)27-8-6-26(7-9-27)23-39-18-16-38(3)17-19-39;1-14-3-6-19(7-4-14)30(28,29)27-15(2)22(20-12-18(24)13-26-23(20)27)17-5-8-21-16(11-17)9-10-25-21;1-9-3-5-12(6-4-9)22(20,21)19-10(2)14(17)13-7-11(16)8-18-15(13)19;1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;9-5-3-6-7(10)1-2-8(6)11-4-5;9-7-4-6-2-1-3-8(6)10-5-7/h4-15,20-22,36H,16-19,23H2,1-3H3;3-13,25H,1-2H3;3-8H,1-2H3;2-8H,1H3;1,3-4H,2H2;1-2,4-5H,3H2
• InChIKey: LEENQMISDQOERG-UHFFFAOYSA-N
• XLogP: 26.05
• TPSA: 271.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2556.41
LogP ≤ 5	26.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine?

The IUPAC name of 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine (CID 159324528) is 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine is Brc1cnc2c(c1)C(I)=CC2.Brc1cnc2c(c1)C=CC2.Cc1ccc(S(=O)(=O)n2c(C)c(-c3ccc4[nH]ccc4c3)c3cc(-c4ccc(CN5CCN(C)CC5)cc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2c(C)c(-c3ccc4[nH]ccc4c3)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2c(C)c(I)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1.

What is the InChIKey of 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine?

The InChIKey is LEENQMISDQOERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N5O2S.C23H18BrN3O2S.C15H12BrIN2O2S.C14H10BrIN2O2S.C8H5BrIN.C8H6BrN/c1-24-4-11-31(12-5-24)43(41,42)40-25(2)34(29-10-13-33-28(20-29)14-15-36-33)32-21-30(22-37-35(32)40)27-8-6-26(7-9-27)23-39-18-16-38(3)17-19-39;1-14-3-6-19(7-4-14)30(28,29)27-15(2)22(20-12-18(24)13-26-23(20)27)17-5-8-21-16(11-17)9-10-25-21;1-9-3-5-12(6-4-9)22(20,21)19-10(2)14(17)13-7-11(16)8-18-15(13)19;1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18;9-5-3-6-7(10)1-2-8(6)11-4-5;9-7-4-6-2-1-3-8(6)10-5-7/h4-15,20-22,36H,16-19,23H2,1-3H3;3-13,25H,1-2H3;3-8H,1-2H3;2-8H,1H3;1,3-4H,2H2;1-2,4-5H,3H2.

What are the key properties of 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine?

3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 2556.41 g/mol, XLogP of 26.05, 13 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-7H-cyclopenta[b]pyridine;5-bromo-3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-2-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1H-indol-5-yl)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159324528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).