5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

C163H137ClF8N24O4S — CID 160937465

About 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine

5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 160937465) has the molecular formula C163H137ClF8N24O4S and a molecular weight of 2715.56 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 160937465
• Molecular Formula: C163H137ClF8N24O4S
• Molecular Weight: 2715.56 g/mol
• Exact Mass: 2713.05
• IUPAC Name: 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC(C)(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1.CCc1ccc(-c2cnc3[nH]ccc3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1-c1cccs1.CNc1ccc(-c2cnc3[nH]ccc3c2)cc1.COc1ccc(-c2cnc3[nH]ccc3c2)cc1OC.COc1ccc(F)cc1-c1cnc2[nH]ccc2c1.Cc1cc(C)cc(-c2cnc3[nH]ccc3c2)c1.FC(F)(F)Oc1ccc(-c2cnc3[nH]ccc3c2)cc1.FC(F)(F)c1ccccc1-c1cnc2[nH]ccc2c1.Fc1ccc(-c2cnc3[nH]ccc3c2)cc1Cl.c1ccc(-c2cnc3[nH]ccc3c2)cc1
• InChI: InChI=1S/C19H17N3S.C17H18N2.C15H14N2O2.2C15H14N2.C14H9F3N2O.C14H9F3N2.C14H11FN2O.C14H13N3.C13H8ClFN2.C13H10N2/c1-22(2)17-6-5-13(11-16(17)18-4-3-9-23-18)15-10-14-7-8-20-19(14)21-12-15;1-17(2,3)15-6-4-12(5-7-15)14-10-13-8-9-18-16(13)19-11-14;1-18-13-4-3-10(8-14(13)19-2)12-7-11-5-6-16-15(11)17-9-12;1-10-5-11(2)7-13(6-10)14-8-12-3-4-16-15(12)17-9-14;1-2-11-3-5-12(6-4-11)14-9-13-7-8-16-15(13)17-10-14;15-14(16,17)20-12-3-1-9(2-4-12)11-7-10-5-6-18-13(10)19-8-11;15-14(16,17)12-4-2-1-3-11(12)10-7-9-5-6-18-13(9)19-8-10;1-18-13-3-2-11(15)7-12(13)10-6-9-4-5-16-14(9)17-8-10;1-15-13-4-2-10(3-5-13)12-8-11-6-7-16-14(11)17-9-12;14-11-6-8(1-2-12(11)15)10-5-9-3-4-16-13(9)17-7-10;1-2-4-10(5-3-1)12-8-11-6-7-14-13(11)15-9-12/h3-12H,1-2H3,(H,20,21);4-11H,1-3H3,(H,18,19);3-9H,1-2H3,(H,16,17);3-9H,1-2H3,(H,16,17);3-10H,2H2,1H3,(H,16,17);1-8H,(H,18,19);1-8H,(H,18,19);2-8H,1H3,(H,16,17);2-9,15H,1H3,(H,16,17);1-7H,(H,16,17);1-9H,(H,14,15)
• InChIKey: SUBGIPKEWGYXLR-UHFFFAOYSA-N
• XLogP: 42.72
• TPSA: 367.67 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2715.56
LogP ≤ 5	42.72
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 160937465) is 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1.CCc1ccc(-c2cnc3[nH]ccc3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]ccc3c2)cc1-c1cccs1.CNc1ccc(-c2cnc3[nH]ccc3c2)cc1.COc1ccc(-c2cnc3[nH]ccc3c2)cc1OC.COc1ccc(F)cc1-c1cnc2[nH]ccc2c1.Cc1cc(C)cc(-c2cnc3[nH]ccc3c2)c1.FC(F)(F)Oc1ccc(-c2cnc3[nH]ccc3c2)cc1.FC(F)(F)c1ccccc1-c1cnc2[nH]ccc2c1.Fc1ccc(-c2cnc3[nH]ccc3c2)cc1Cl.c1ccc(-c2cnc3[nH]ccc3c2)cc1.

What is the InChIKey of 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is SUBGIPKEWGYXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S.C17H18N2.C15H14N2O2.2C15H14N2.C14H9F3N2O.C14H9F3N2.C14H11FN2O.C14H13N3.C13H8ClFN2.C13H10N2/c1-22(2)17-6-5-13(11-16(17)18-4-3-9-23-18)15-10-14-7-8-20-19(14)21-12-15;1-17(2,3)15-6-4-12(5-7-15)14-10-13-8-9-18-16(13)19-11-14;1-18-13-4-3-10(8-14(13)19-2)12-7-11-5-6-16-15(11)17-9-12;1-10-5-11(2)7-13(6-10)14-8-12-3-4-16-15(12)17-9-14;1-2-11-3-5-12(6-4-11)14-9-13-7-8-16-15(13)17-10-14;15-14(16,17)20-12-3-1-9(2-4-12)11-7-10-5-6-18-13(10)19-8-11;15-14(16,17)12-4-2-1-3-11(12)10-7-9-5-6-18-13(9)19-8-10;1-18-13-3-2-11(15)7-12(13)10-6-9-4-5-16-14(9)17-8-10;1-15-13-4-2-10(3-5-13)12-8-11-6-7-16-14(11)17-9-12;14-11-6-8(1-2-12(11)15)10-5-9-3-4-16-13(9)17-7-10;1-2-4-10(5-3-1)12-8-11-6-7-14-13(11)15-9-12/h3-12H,1-2H3,(H,20,21);4-11H,1-3H3,(H,18,19);3-9H,1-2H3,(H,16,17);3-9H,1-2H3,(H,16,17);3-10H,2H2,1H3,(H,16,17);1-8H,(H,18,19);1-8H,(H,18,19);2-8H,1H3,(H,16,17);2-9,15H,1H3,(H,16,17);1-7H,(H,16,17);1-9H,(H,14,15).

What are the key properties of 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine?

5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2715.56 g/mol, XLogP of 42.72, 19 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-thiophen-2-ylaniline;5-(4-ethylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;N-methyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)aniline;5-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160937465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).