5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile

C106H85BBr2F4N14O11S2 — CID 159365040

About 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile

5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile (PubChem CID 159365040) has the molecular formula C106H85BBr2F4N14O11S2 and a molecular weight of 2041.68 g/mol. Its IUPAC name is 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile.

Molecular Properties

• Compound Name: 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile
• PubChem CID: 159365040
• Molecular Formula: C106H85BBr2F4N14O11S2
• Molecular Weight: 2041.68 g/mol
• Exact Mass: 2038.44
• IUPAC Name: 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile
• SMILES: BrC1=CCc2ncccc21.C.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(C#N)c3)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.N#Cc1cccc(B(O)O)c1.NCc1cncc(C2=CCc3ncccc32)c1.O=C(NCc1cccc(C2=CCc3ncccc32)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
• InChI: InChI=1S/C28H21F2N3O2.C21H15N3O2S.C14H11BrN2O2S.C14H13N3.C13H9F2NO3.C8H6BrN.C7H6BNO2.CH4/c29-24-10-8-19(15-25(24)30)17-33-13-3-7-23(28(33)35)27(34)32-16-18-4-1-5-20(14-18)21-9-11-26-22(21)6-2-12-31-26;1-15-7-9-18(10-8-15)27(25,26)24-14-20(19-6-3-11-23-21(19)24)17-5-2-4-16(12-17)13-22;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;15-7-10-6-11(9-16-8-10)12-3-4-14-13(12)2-1-5-17-14;14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19;9-7-3-4-8-6(7)2-1-5-10-8;9-5-6-2-1-3-7(4-6)8(10)11;/h1-10,12-15H,11,16-17H2,(H,32,34);2-12,14H,1H3;2-9H,1H3;1-3,5-6,8-9H,4,7,15H2;1-6H,7H2,(H,18,19);1-3,5H,4H2;1-4,10-11H;1H4
• InChIKey: LJADGJLUSHTDDG-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 379.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2041.68
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile?

The IUPAC name of 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile (CID 159365040) is 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile.

What is the SMILES notation for 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile?

The canonical SMILES for 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile is BrC1=CCc2ncccc21.C.Cc1ccc(S(=O)(=O)n2cc(-c3cccc(C#N)c3)c3cccnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(Br)c3cccnc32)cc1.N#Cc1cccc(B(O)O)c1.NCc1cncc(C2=CCc3ncccc32)c1.O=C(NCc1cccc(C2=CCc3ncccc32)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(O)c1cccn(Cc2ccc(F)c(F)c2)c1=O.

What is the InChIKey of 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile?

The InChIKey is LJADGJLUSHTDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N3O2.C21H15N3O2S.C14H11BrN2O2S.C14H13N3.C13H9F2NO3.C8H6BrN.C7H6BNO2.CH4/c29-24-10-8-19(15-25(24)30)17-33-13-3-7-23(28(33)35)27(34)32-16-18-4-1-5-20(14-18)21-9-11-26-22(21)6-2-12-31-26;1-15-7-9-18(10-8-15)27(25,26)24-14-20(19-6-3-11-23-21(19)24)17-5-2-4-16(12-17)13-22;1-10-4-6-11(7-5-10)20(18,19)17-9-13(15)12-3-2-8-16-14(12)17;15-7-10-6-11(9-16-8-10)12-3-4-14-13(12)2-1-5-17-14;14-10-4-3-8(6-11(10)15)7-16-5-1-2-9(12(16)17)13(18)19;9-7-3-4-8-6(7)2-1-5-10-8;9-5-6-2-1-3-7(4-6)8(10)11;/h1-10,12-15H,11,16-17H2,(H,32,34);2-12,14H,1H3;2-9H,1H3;1-3,5-6,8-9H,4,7,15H2;1-6H,7H2,(H,18,19);1-3,5H,4H2;1-4,10-11H;1H4.

What are the key properties of 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile?

5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile has a molecular weight of 2041.68 g/mol, XLogP of 18.00, 17 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-7H-cyclopenta[b]pyridine;3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3-cyanophenyl)boronic acid;N-[[3-(7H-cyclopenta[b]pyridin-5-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[5-(7H-cyclopenta[b]pyridin-5-yl)-3-pyridinyl]methanamine;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;methane;3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 159365040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).