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-(3-chloro-4-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;7-(3,3-difluoroazetidin-1-yl)-2-thiophen-3-yl-5H-cyclopenta[b]pyridine;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine

C145H106Cl5F9N20O4S8 — CID 158530124

About 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-(3-chloro-4-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;7-(3,3-difluoroazetidin-1-yl)-2-thiophen-3-yl-5H-cyclopenta[b]pyridine;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine

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-(3-chloro-4-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;7-(3,3-difluoroazetidin-1-yl)-2-thiophen-3-yl-5H-cyclopenta[b]pyridine;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine (PubChem CID 158530124) has the molecular formula C145H106Cl5F9N20O4S8 and a molecular weight of 2797.36 g/mol. Its IUPAC name is 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-(3-chloro-4-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;7-(3,3-difluoroazetidin-1-yl)-2-thiophen-3-yl-5H-cyclopenta[b]pyridine;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine.

Molecular Properties

• Compound Name: 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-(3-chloro-4-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;7-(3,3-difluoroazetidin-1-yl)-2-thiophen-3-yl-5H-cyclopenta[b]pyridine;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
• PubChem CID: 158530124
• Molecular Formula: C145H106Cl5F9N20O4S8
• Molecular Weight: 2797.36 g/mol
• Exact Mass: 2792.48
• IUPAC Name: 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-(3-chloro-4-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;7-(3,3-difluoroazetidin-1-yl)-2-thiophen-3-yl-5H-cyclopenta[b]pyridine;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
• SMILES: COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12.Cc1ncc(-c2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)s1.Clc1ccccc1-c1c[nH]c2ncc(-c3ccsc3)cc12.FC1(F)CN(C2=CCc3ccc(-c4ccsc4)nc32)C1.Fc1c(-c2c[nH]c3ncc(-c4ccsc4)cc23)ccnc1Cl.Fc1c(Cl)cccc1-c1c[nH]c2ncc(-c3ccsc3)cc12.Fc1ccc(-c2c[nH]c3ncc(-c4ccsc4)cc23)cc1Cl
• InChI: InChI=1S/C23H21F2N3O2S.C23H22FN3O2S.C17H11ClFN3S.2C17H10ClFN2S.C17H11ClN2S.C16H9ClFN3S.C15H12F2N2S/c1-29-22-17(9-15(24)10-20(22)25)19-12-27-23-18(19)8-14(11-26-23)21-3-2-16(31-21)13-28-4-6-30-7-5-28;1-28-22-17(3-2-4-20(22)24)19-13-26-23-18(19)11-15(12-25-23)21-6-5-16(30-21)14-27-7-9-29-10-8-27;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;18-15-6-10(1-2-16(15)19)14-8-21-17-13(14)5-12(7-20-17)11-3-4-22-9-11;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;17-15-14(18)11(1-3-19-15)13-7-21-16-12(13)5-10(6-20-16)9-2-4-22-8-9;16-15(17)8-19(9-15)13-4-2-10-1-3-12(18-14(10)13)11-5-6-20-7-11/h2-3,8-12H,4-7,13H2,1H3,(H,26,27);2-6,11-13H,7-10,14H2,1H3,(H,25,26);2-8H,1H3,(H,21,22);2*1-9H,(H,20,21);1-10H,(H,19,20);1-8H,(H,20,21);1,3-7H,2,8-9H2
• InChIKey: HNGMRHSXLYJMRK-UHFFFAOYSA-N
• XLogP: 41.39
• TPSA: 286.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2797.36
LogP ≤ 5	41.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 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-(3-chloro-4-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;7-(3,3-difluoroazetidin-1-yl)-2-thiophen-3-yl-5H-cyclopenta[b]pyridine;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine (CID 158530124) is 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-(3-chloro-4-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;7-(3,3-difluoroazetidin-1-yl)-2-thiophen-3-yl-5H-cyclopenta[b]pyridine;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine.

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

The canonical SMILES for 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-(3-chloro-4-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;7-(3,3-difluoroazetidin-1-yl)-2-thiophen-3-yl-5H-cyclopenta[b]pyridine;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine is COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12.Cc1ncc(-c2cnc3[nH]cc(-c4cccc(F)c4Cl)c3c2)s1.Clc1ccccc1-c1c[nH]c2ncc(-c3ccsc3)cc12.FC1(F)CN(C2=CCc3ccc(-c4ccsc4)nc32)C1.Fc1c(-c2c[nH]c3ncc(-c4ccsc4)cc23)ccnc1Cl.Fc1c(Cl)cccc1-c1c[nH]c2ncc(-c3ccsc3)cc12.Fc1ccc(-c2c[nH]c3ncc(-c4ccsc4)cc23)cc1Cl.

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

The InChIKey is HNGMRHSXLYJMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2S.C23H22FN3O2S.C17H11ClFN3S.2C17H10ClFN2S.C17H11ClN2S.C16H9ClFN3S.C15H12F2N2S/c1-29-22-17(9-15(24)10-20(22)25)19-12-27-23-18(19)8-14(11-26-23)21-3-2-16(31-21)13-28-4-6-30-7-5-28;1-28-22-17(3-2-4-20(22)24)19-13-26-23-18(19)11-15(12-25-23)21-6-5-16(30-21)14-27-7-9-29-10-8-27;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;18-15-6-10(1-2-16(15)19)14-8-21-17-13(14)5-12(7-20-17)11-3-4-22-9-11;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;17-15-14(18)11(1-3-19-15)13-7-21-16-12(13)5-10(6-20-16)9-2-4-22-8-9;16-15(17)8-19(9-15)13-4-2-10-1-3-12(18-14(10)13)11-5-6-20-7-11/h2-3,8-12H,4-7,13H2,1H3,(H,26,27);2-6,11-13H,7-10,14H2,1H3,(H,25,26);2-8H,1H3,(H,21,22);2*1-9H,(H,20,21);1-10H,(H,19,20);1-8H,(H,20,21);1,3-7H,2,8-9H2.

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

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-(3-chloro-4-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;7-(3,3-difluoroazetidin-1-yl)-2-thiophen-3-yl-5H-cyclopenta[b]pyridine;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine has a molecular weight of 2797.36 g/mol, XLogP of 41.39, 22 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(3-chloro-4-fluorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2-chlorophenyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;7-(3,3-difluoroazetidin-1-yl)-2-thiophen-3-yl-5H-cyclopenta[b]pyridine;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[[5-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 158530124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).