5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine

C105H73Cl6F6N15O2S6 — CID 159344031

About 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine

5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine (PubChem CID 159344031) has the molecular formula C105H73Cl6F6N15O2S6 and a molecular weight of 2095.95 g/mol. Its IUPAC name is 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine.

Molecular Properties

• Compound Name: 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine
• PubChem CID: 159344031
• Molecular Formula: C105H73Cl6F6N15O2S6
• Molecular Weight: 2095.95 g/mol
• Exact Mass: 2091.24
• IUPAC Name: 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine
• SMILES: CN(C)S(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)c1.Cc1nc(Cc2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)sc1Cl.Cc1ncc(-c2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)s1.Clc1ccccc1-c1c[nH]c2ncc(-c3ccsc3)cc12.FC1(F)CN(C2=CCc3ncc(-c4ccsc4)cc32)C1.Fc1c(Cl)cccc1-c1c[nH]c2ncc(-c3ccsc3)cc12
• InChI: InChI=1S/C21H17ClFN3O2S.C18H12Cl2FN3S.C17H11ClFN3S.C17H10ClFN2S.C17H11ClN2S.C15H12F2N2S/c1-26(2)29(27,28)15-6-3-5-13(9-15)14-10-17-18(12-25-21(17)24-11-14)16-7-4-8-19(23)20(16)22;1-9-17(20)25-15(24-9)6-10-5-12-13(8-23-18(12)22-7-10)11-3-2-4-14(21)16(11)19;1-9-20-8-15(23-9)10-5-12-13(7-22-17(12)21-6-10)11-3-2-4-14(19)16(11)18;18-15-3-1-2-12(16(15)19)14-8-21-17-13(14)6-11(7-20-17)10-4-5-22-9-10;18-16-4-2-1-3-13(16)15-9-20-17-14(15)7-12(8-19-17)11-5-6-21-10-11;16-15(17)8-19(9-15)14-2-1-13-12(14)5-11(6-18-13)10-3-4-20-7-10/h3-12H,1-2H3,(H,24,25);2-5,7-8H,6H2,1H3,(H,22,23);2-8H,1H3,(H,21,22);1-9H,(H,20,21);1-10H,(H,19,20);2-7H,1,8-9H2
• InChIKey: LGMLZHYJIDIDBN-UHFFFAOYSA-N
• XLogP: 31.45
• TPSA: 222.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2095.95
LogP ≤ 5	31.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine?

The IUPAC name of 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine (CID 159344031) is 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine.

What is the SMILES notation for 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine?

The canonical SMILES for 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine is CN(C)S(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)c1.Cc1nc(Cc2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)sc1Cl.Cc1ncc(-c2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)s1.Clc1ccccc1-c1c[nH]c2ncc(-c3ccsc3)cc12.FC1(F)CN(C2=CCc3ncc(-c4ccsc4)cc32)C1.Fc1c(Cl)cccc1-c1c[nH]c2ncc(-c3ccsc3)cc12.

What is the InChIKey of 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine?

The InChIKey is LGMLZHYJIDIDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2S.C18H12Cl2FN3S.C17H11ClFN3S.C17H10ClFN2S.C17H11ClN2S.C15H12F2N2S/c1-26(2)29(27,28)15-6-3-5-13(9-15)14-10-17-18(12-25-21(17)24-11-14)16-7-4-8-19(23)20(16)22;1-9-17(20)25-15(24-9)6-10-5-12-13(8-23-18(12)22-7-10)11-3-2-4-14(21)16(11)19;1-9-20-8-15(23-9)10-5-12-13(7-22-17(12)21-6-10)11-3-2-4-14(19)16(11)18;18-15-3-1-2-12(16(15)19)14-8-21-17-13(14)6-11(7-20-17)10-4-5-22-9-10;18-16-4-2-1-3-13(16)15-9-20-17-14(15)7-12(8-19-17)11-5-6-21-10-11;16-15(17)8-19(9-15)14-2-1-13-12(14)5-11(6-18-13)10-3-4-20-7-10/h3-12H,1-2H3,(H,24,25);2-5,7-8H,6H2,1H3,(H,22,23);2-8H,1H3,(H,21,22);1-9H,(H,20,21);1-10H,(H,19,20);2-7H,1,8-9H2.

What are the key properties of 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine?

5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine has a molecular weight of 2095.95 g/mol, XLogP of 31.45, 15 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]-4-methyl-1,3-thiazole;3-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzenesulfonamide;5-[3-(2-chloro-3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methyl-1,3-thiazole;3-(3-chloro-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(3,3-difluoroazetidin-1-yl)-3-thiophen-3-yl-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 159344031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).