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

C109H99Br4I2N13O9S3 — CID 161191195

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

3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;methane;4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol (PubChem CID 161191195) has the molecular formula C109H99Br4I2N13O9S3 and a molecular weight of 2404.70 g/mol. Its IUPAC name is 3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;methane;4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol.

Molecular Properties

• Compound Name: 3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;methane;4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
• PubChem CID: 161191195
• Molecular Formula: C109H99Br4I2N13O9S3
• Molecular Weight: 2404.70 g/mol
• Exact Mass: 2399.17
• IUPAC Name: 3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;methane;4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol
• SMILES: Brc1cnc2c(c1)C(I)=CC2.Brc1cnc2c(c1)C=CC2.C.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc(O)cc3)=CC4)cc2)CC1.Cc1ccc(S(=O)(=O)n2cc(-c3ccc(O)cc3)c3cc(-c4ccc(CN5CCN(C)CC5)cc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ccc(O)cc3)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3cc(Br)cnc32)cc1
• InChI: InChI=1S/C32H32N4O3S.C26H27N3O.C20H15BrN2O3S.C14H10BrIN2O2S.C8H5BrIN.C8H6BrN.CH4/c1-23-3-13-29(14-4-23)40(38,39)36-22-31(26-9-11-28(37)12-10-26)30-19-27(20-33-32(30)36)25-7-5-24(6-8-25)21-35-17-15-34(2)16-18-35;1-28-12-14-29(15-13-28)18-19-2-4-20(5-3-19)22-16-25-24(10-11-26(25)27-17-22)21-6-8-23(30)9-7-21;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;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;/h3-14,19-20,22,37H,15-18,21H2,1-2H3;2-10,16-17,30H,11-15,18H2,1H3;2-12,24H,1H3;2-8H,1H3;1,3-4H,2H2;1-2,4-5H,3H2;1H4
• InChIKey: UTTAQRJVEJZHGG-UHFFFAOYSA-N
• XLogP: 24.45
• TPSA: 268.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2404.70
LogP ≤ 5	24.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

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

The IUPAC name of 3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;methane;4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol (CID 161191195) is 3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;methane;4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol.

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

The canonical SMILES for 3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;methane;4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol is Brc1cnc2c(c1)C(I)=CC2.Brc1cnc2c(c1)C=CC2.C.CN1CCN(Cc2ccc(-c3cnc4c(c3)C(c3ccc(O)cc3)=CC4)cc2)CC1.Cc1ccc(S(=O)(=O)n2cc(-c3ccc(O)cc3)c3cc(-c4ccc(CN5CCN(C)CC5)cc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3ccc(O)cc3)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;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;methane;4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol?

The InChIKey is UTTAQRJVEJZHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O3S.C26H27N3O.C20H15BrN2O3S.C14H10BrIN2O2S.C8H5BrIN.C8H6BrN.CH4/c1-23-3-13-29(14-4-23)40(38,39)36-22-31(26-9-11-28(37)12-10-26)30-19-27(20-33-32(30)36)25-7-5-24(6-8-25)21-35-17-15-34(2)16-18-35;1-28-12-14-29(15-13-28)18-19-2-4-20(5-3-19)22-16-25-24(10-11-26(25)27-17-22)21-6-8-23(30)9-7-21;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;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;/h3-14,19-20,22,37H,15-18,21H2,1-2H3;2-10,16-17,30H,11-15,18H2,1H3;2-12,24H,1H3;2-8H,1H3;1,3-4H,2H2;1-2,4-5H,3H2;1H4.

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

3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;methane;4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol has a molecular weight of 2404.70 g/mol, XLogP of 24.45, 15 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]phenol;methane;4-[1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]phenol;4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]phenol is sourced from PubChem (CID 161191195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).