N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

C129H97FN16O4S3 — CID 158323225

About N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (PubChem CID 158323225) has the molecular formula C129H97FN16O4S3 and a molecular weight of 2050.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
• PubChem CID: 158323225
• Molecular Formula: C129H97FN16O4S3
• Molecular Weight: 2050.50 g/mol
• Exact Mass: 2048.70
• IUPAC Name: N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
• SMILES: CN(C)c1ccc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.Fc1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1.c1csc(-c2ccc(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cc2)c1.c1csc(-c2ccc(-c3cnc4[nH]cc(-c5cncs5)c4c3)cc2)c1
• InChI: InChI=1S/C25H17FN2O.C25H18N2O.C21H14N2OS.C20H13N3S2.C19H18N4.C19H17N3O/c26-19-8-6-7-17(13-19)23-16-28-25-22(23)14-18(15-27-25)21-11-4-5-12-24(21)29-20-9-2-1-3-10-20;1-3-9-18(10-4-1)23-17-27-25-22(23)15-19(16-26-25)21-13-7-8-14-24(21)28-20-11-5-2-6-12-20;1-2-20(25-9-1)15-5-3-14(4-6-15)17-10-18-19(16-7-8-24-13-16)12-23-21(18)22-11-17;1-2-18(24-7-1)14-5-3-13(4-6-14)15-8-16-17(19-11-21-12-25-19)10-23-20(16)22-9-15;1-23(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-20-10-14)12-22-19(17)21-11-15;1-22(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-23-12-14)11-21-19(17)20-10-15/h1-16H,(H,27,28);1-17H,(H,26,27);1-13H,(H,22,23);1-12H,(H,22,23);3-12,20H,1-2H3,(H,21,22);3-12H,1-2H3,(H,20,21)
• InChIKey: GPCGBHPMTQIRBP-UHFFFAOYSA-N
• XLogP: 34.66
• TPSA: 251.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2050.50
LogP ≤ 5	34.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

The IUPAC name of N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (CID 158323225) is N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.

What is the SMILES notation for N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

The canonical SMILES for N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is CN(C)c1ccc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1.Fc1cccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.c1ccc(Oc2ccccc2-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1.c1csc(-c2ccc(-c3cnc4[nH]cc(-c5ccoc5)c4c3)cc2)c1.c1csc(-c2ccc(-c3cnc4[nH]cc(-c5cncs5)c4c3)cc2)c1.

What is the InChIKey of N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

The InChIKey is GPCGBHPMTQIRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O.C25H18N2O.C21H14N2OS.C20H13N3S2.C19H18N4.C19H17N3O/c26-19-8-6-7-17(13-19)23-16-28-25-22(23)14-18(15-27-25)21-11-4-5-12-24(21)29-20-9-2-1-3-10-20;1-3-9-18(10-4-1)23-17-27-25-22(23)15-19(16-26-25)21-13-7-8-14-24(21)28-20-11-5-2-6-12-20;1-2-20(25-9-1)15-5-3-14(4-6-15)17-10-18-19(16-7-8-24-13-16)12-23-21(18)22-11-17;1-2-18(24-7-1)14-5-3-13(4-6-14)15-8-16-17(19-11-21-12-25-19)10-23-20(16)22-9-15;1-23(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-20-10-14)12-22-19(17)21-11-15;1-22(2)16-5-3-13(4-6-16)15-9-17-18(14-7-8-23-12-14)11-21-19(17)20-10-15/h1-16H,(H,27,28);1-17H,(H,26,27);1-13H,(H,22,23);1-12H,(H,22,23);3-12,20H,1-2H3,(H,21,22);3-12H,1-2H3,(H,20,21).

What are the key properties of N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole has a molecular weight of 2050.50 g/mol, XLogP of 34.66, 20 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(furan-3-yl)-5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;5-[5-(4-thiophen-2-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 158323225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).