5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

C111H93ClF2N16O3S — CID 159848609

About 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159848609) has the molecular formula C111H93ClF2N16O3S and a molecular weight of 1804.59 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159848609
• Molecular Formula: C111H93ClF2N16O3S
• Molecular Weight: 1804.59 g/mol
• Exact Mass: 1802.70
• IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
• SMILES: CCc1cc2cc(-c3cccc(F)c3)cnc2[nH]1.COc1ccc(-c2cnc3[nH]ccc3c2)cc1.COc1ccc(Cl)cc1-c1cnc2[nH]ccc2c1.COc1cccc(-c2cnc3[nH]ccc3c2)c1.Cc1ccc(C)c(-c2cnc3[nH]ccc3c2)c1.Cc1cccc(-c2cnc3[nH]ccc3c2)c1C.Fc1ccccc1-c1cnc2[nH]ccc2c1.c1cc2cc(-c3ccsc3)cnc2[nH]1
• InChI: InChI=1S/C15H13FN2.2C15H14N2.C14H11ClN2O.2C14H12N2O.C13H9FN2.C11H8N2S/c1-2-14-8-11-6-12(9-17-15(11)18-14)10-4-3-5-13(16)7-10;1-10-3-4-11(2)14(7-10)13-8-12-5-6-16-15(12)17-9-13;1-10-4-3-5-14(11(10)2)13-8-12-6-7-16-15(12)17-9-13;1-18-13-3-2-11(15)7-12(13)10-6-9-4-5-16-14(9)17-8-10;1-17-13-4-2-10(3-5-13)12-8-11-6-7-15-14(11)16-9-12;1-17-13-4-2-3-10(8-13)12-7-11-5-6-15-14(11)16-9-12;14-12-4-2-1-3-11(12)10-7-9-5-6-15-13(9)16-8-10;1-3-12-11-8(1)5-10(6-13-11)9-2-4-14-7-9/h3-9H,2H2,1H3,(H,17,18);2*3-9H,1-2H3,(H,16,17);2-8H,1H3,(H,16,17);2*2-9H,1H3,(H,15,16);1-8H,(H,15,16);1-7H,(H,12,13)
• InChIKey: NPQDCBWYXSPHJM-UHFFFAOYSA-N
• XLogP: 28.65
• TPSA: 257.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1804.59
LogP ≤ 5	28.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 159848609) is 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is CCc1cc2cc(-c3cccc(F)c3)cnc2[nH]1.COc1ccc(-c2cnc3[nH]ccc3c2)cc1.COc1ccc(Cl)cc1-c1cnc2[nH]ccc2c1.COc1cccc(-c2cnc3[nH]ccc3c2)c1.Cc1ccc(C)c(-c2cnc3[nH]ccc3c2)c1.Cc1cccc(-c2cnc3[nH]ccc3c2)c1C.Fc1ccccc1-c1cnc2[nH]ccc2c1.c1cc2cc(-c3ccsc3)cnc2[nH]1.

What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is NPQDCBWYXSPHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2.2C15H14N2.C14H11ClN2O.2C14H12N2O.C13H9FN2.C11H8N2S/c1-2-14-8-11-6-12(9-17-15(11)18-14)10-4-3-5-13(16)7-10;1-10-3-4-11(2)14(7-10)13-8-12-5-6-16-15(12)17-9-13;1-10-4-3-5-14(11(10)2)13-8-12-6-7-16-15(12)17-9-13;1-18-13-3-2-11(15)7-12(13)10-6-9-4-5-16-14(9)17-8-10;1-17-13-4-2-10(3-5-13)12-8-11-6-7-15-14(11)16-9-12;1-17-13-4-2-3-10(8-13)12-7-11-5-6-15-14(11)16-9-12;14-12-4-2-1-3-11(12)10-7-9-5-6-15-13(9)16-8-10;1-3-12-11-8(1)5-10(6-13-11)9-2-4-14-7-9/h3-9H,2H2,1H3,(H,17,18);2*3-9H,1-2H3,(H,16,17);2-8H,1H3,(H,16,17);2*2-9H,1H3,(H,15,16);1-8H,(H,15,16);1-7H,(H,12,13).

What are the key properties of 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?

5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1804.59 g/mol, XLogP of 28.65, 12 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;2-ethyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159848609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).