5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

C81H52Br5F8N21O3S — CID 159861038

About 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (PubChem CID 159861038) has the molecular formula C81H52Br5F8N21O3S and a molecular weight of 1951.02 g/mol. Its IUPAC name is 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• PubChem CID: 159861038
• Molecular Formula: C81H52Br5F8N21O3S
• Molecular Weight: 1951.02 g/mol
• Exact Mass: 1945.01
• IUPAC Name: 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• SMILES: Brc1cnc2[nH]ccc2c1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4nncn4-c4cccc(F)c4F)c3c2)cc1.Fc1cccc(-n2cnnc2-c2c[nH]c3ncc(Br)cc23)c1F.Fc1cccc(NC(=S)c2c[nH]c3ncc(Br)cc23)c1F.O=C(Nc1cccc(F)c1F)c1c[nH]c2ncc(Br)cc12.O=C(O)c1c[nH]c2ncc(Br)cc12
• InChI: InChI=1S/C23H18F2N6.C15H8BrF2N5.C14H8BrF2N3O.C14H8BrF2N3S.C8H5BrN2O2.C7H5BrN2/c1-30(2)16-8-6-14(7-9-16)15-10-17-18(12-27-22(17)26-11-15)23-29-28-13-31(23)20-5-3-4-19(24)21(20)25;16-8-4-9-10(6-20-14(9)19-5-8)15-22-21-7-23(15)12-3-1-2-11(17)13(12)18;2*15-7-4-8-9(6-19-13(8)18-5-7)14(21)20-11-3-1-2-10(16)12(11)17;9-4-1-5-6(8(12)13)3-11-7(5)10-2-4;8-6-3-5-1-2-9-7(5)10-4-6/h3-13H,1-2H3,(H,26,27);1-7H,(H,19,20);2*1-6H,(H,18,19)(H,20,21);1-3H,(H,10,11)(H,12,13);1-4H,(H,9,10)
• InChIKey: NRDMWAYZEVETJO-UHFFFAOYSA-N
• XLogP: 21.27
• TPSA: 315.17 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1951.02
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The IUPAC name of 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (CID 159861038) is 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

What is the SMILES notation for 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The canonical SMILES for 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is Brc1cnc2[nH]ccc2c1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4nncn4-c4cccc(F)c4F)c3c2)cc1.Fc1cccc(-n2cnnc2-c2c[nH]c3ncc(Br)cc23)c1F.Fc1cccc(NC(=S)c2c[nH]c3ncc(Br)cc23)c1F.O=C(Nc1cccc(F)c1F)c1c[nH]c2ncc(Br)cc12.O=C(O)c1c[nH]c2ncc(Br)cc12.

What is the InChIKey of 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The InChIKey is NRDMWAYZEVETJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6.C15H8BrF2N5.C14H8BrF2N3O.C14H8BrF2N3S.C8H5BrN2O2.C7H5BrN2/c1-30(2)16-8-6-14(7-9-16)15-10-17-18(12-27-22(17)26-11-15)23-29-28-13-31(23)20-5-3-4-19(24)21(20)25;16-8-4-9-10(6-20-14(9)19-5-8)15-22-21-7-23(15)12-3-1-2-11(17)13(12)18;2*15-7-4-8-9(6-19-13(8)18-5-7)14(21)20-11-3-1-2-10(16)12(11)17;9-4-1-5-6(8(12)13)3-11-7(5)10-2-4;8-6-3-5-1-2-9-7(5)10-4-6/h3-13H,1-2H3,(H,26,27);1-7H,(H,19,20);2*1-6H,(H,18,19)(H,20,21);1-3H,(H,10,11)(H,12,13);1-4H,(H,9,10).

What are the key properties of 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline has a molecular weight of 1951.02 g/mol, XLogP of 21.27, 11 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbothioamide;5-bromo-N-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;4-[3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 159861038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).