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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine

C123H101Cl2F8N17O8S6 — CID 158686626

About 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine

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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine (PubChem CID 158686626) has the molecular formula C123H101Cl2F8N17O8S6 and a molecular weight of 2360.56 g/mol. Its IUPAC name is 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine.

Molecular Properties

• Compound Name: 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine
• PubChem CID: 158686626
• Molecular Formula: C123H101Cl2F8N17O8S6
• Molecular Weight: 2360.56 g/mol
• Exact Mass: 2357.56
• IUPAC Name: 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine
• SMILES: COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(N4CCOCC4)s3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(N4CCOCC4)s3)cc12.Fc1c(-c2c[nH]c3ncc(-c4ccsc4)cc23)ccnc1Cl.Fc1ccc(-c2c[nH]c3ncc(-c4ccsc4)cc23)cc1Cl
• InChI: InChI=1S/C23H21F2N3O2S.C23H22FN3O2S.C22H19F2N3O2S.C22H20FN3O2S.C17H10ClFN2S.C16H9ClFN3S/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;1-28-21-15(9-14(23)10-18(21)24)17-12-26-22-16(17)8-13(11-25-22)19-2-3-20(30-19)27-4-6-29-7-5-27;1-27-21-15(3-2-4-18(21)23)17-13-25-22-16(17)11-14(12-24-22)19-5-6-20(29-19)26-7-9-28-10-8-26;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;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/h2-3,8-12H,4-7,13H2,1H3,(H,26,27);2-6,11-13H,7-10,14H2,1H3,(H,25,26);2-3,8-12H,4-7H2,1H3,(H,25,26);2-6,11-13H,7-10H2,1H3,(H,24,25);1-9H,(H,20,21);1-8H,(H,20,21)
• InChIKey: IFUYZNCJWWFNTE-UHFFFAOYSA-N
• XLogP: 30.94
• TPSA: 271.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2360.56
LogP ≤ 5	30.94
H-Bond Donors ≤ 5	6
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 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine?

The IUPAC name of 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine (CID 158686626) is 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine.

What is the SMILES notation for 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine?

The canonical SMILES for 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine is COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12.COc1c(F)cc(F)cc1-c1c[nH]c2ncc(-c3ccc(N4CCOCC4)s3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(CN4CCOCC4)s3)cc12.COc1c(F)cccc1-c1c[nH]c2ncc(-c3ccc(N4CCOCC4)s3)cc12.Fc1c(-c2c[nH]c3ncc(-c4ccsc4)cc23)ccnc1Cl.Fc1ccc(-c2c[nH]c3ncc(-c4ccsc4)cc23)cc1Cl.

What is the InChIKey of 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine?

The InChIKey is IFUYZNCJWWFNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2S.C23H22FN3O2S.C22H19F2N3O2S.C22H20FN3O2S.C17H10ClFN2S.C16H9ClFN3S/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;1-28-21-15(9-14(23)10-18(21)24)17-12-26-22-16(17)8-13(11-25-22)19-2-3-20(30-19)27-4-6-29-7-5-27;1-27-21-15(3-2-4-18(21)23)17-13-25-22-16(17)11-14(12-24-22)19-5-6-20(29-19)26-7-9-28-10-8-26;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;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/h2-3,8-12H,4-7,13H2,1H3,(H,26,27);2-6,11-13H,7-10,14H2,1H3,(H,25,26);2-3,8-12H,4-7H2,1H3,(H,25,26);2-6,11-13H,7-10H2,1H3,(H,24,25);1-9H,(H,20,21);1-8H,(H,20,21).

What are the key properties of 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine?

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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine has a molecular weight of 2360.56 g/mol, XLogP of 30.94, 22 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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;4-[[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine;4-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]morpholine;4-[[5-[3-(3-fluoro-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]morpholine is sourced from PubChem (CID 158686626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).