N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide

C156H116FN23O4S2 — CID 158946064

About N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide

N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide (PubChem CID 158946064) has the molecular formula C156H116FN23O4S2 and a molecular weight of 2459.93 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide
• PubChem CID: 158946064
• Molecular Formula: C156H116FN23O4S2
• Molecular Weight: 2459.93 g/mol
• Exact Mass: 2457.90
• IUPAC Name: N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide
• SMILES: C#Cc1c[nH]c2ncc(-c3ccc(N(C)C)cc3)cc12.C#Cc1c[nH]c2ncc(-c3ccc(N(C)C)cc3)cc12.C#Cc1c[nH]c2ncc(-c3ccccc3F)cc12.C#Cc1c[nH]c2ncc(-c3cccs3)cc12.C#Cc1c[nH]c2ncc(-c3ccoc3)cc12.C#Cc1c[nH]c2ncc(-c3ccsc3)cc12.CCCNC(=O)C#Cc1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.CN(C)c1ccc(-c2cnc3[nH]cc(C#Cc4ccccc4)c3c2)cc1.N#Cc1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12
• InChI: InChI=1S/C25H21N3O2.C23H19N3.C20H13N3O.2C17H15N3.C15H9FN2.C13H8N2O.2C13H8N2S/c1-2-14-26-24(29)13-12-18-16-27-25-22(18)15-19(17-28-25)21-10-6-7-11-23(21)30-20-8-4-3-5-9-20;1-26(2)21-12-10-18(11-13-21)20-14-22-19(15-24-23(22)25-16-20)9-8-17-6-4-3-5-7-17;21-11-15-13-23-20-18(15)10-14(12-22-20)17-8-4-5-9-19(17)24-16-6-2-1-3-7-16;2*1-4-12-10-18-17-16(12)9-14(11-19-17)13-5-7-15(8-6-13)20(2)3;1-2-10-8-17-15-13(10)7-11(9-18-15)12-5-3-4-6-14(12)16;2*1-2-9-6-14-13-12(9)5-11(7-15-13)10-3-4-16-8-10;1-2-9-7-14-13-11(9)6-10(8-15-13)12-4-3-5-16-12/h3-11,15-17H,2,14H2,1H3,(H,26,29)(H,27,28);3-7,10-16H,1-2H3,(H,24,25);1-10,12-13H,(H,22,23);2*1,5-11H,2-3H3,(H,18,19);1,3-9H,(H,17,18);3*1,3-8H,(H,14,15)
• InChIKey: JKVJWMNGHWIPQM-UHFFFAOYSA-N
• XLogP: 33.74
• TPSA: 352.33 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2459.93
LogP ≤ 5	33.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide?

The IUPAC name of N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide (CID 158946064) is N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide.

What is the SMILES notation for N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide?

The canonical SMILES for N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide is C#Cc1c[nH]c2ncc(-c3ccc(N(C)C)cc3)cc12.C#Cc1c[nH]c2ncc(-c3ccc(N(C)C)cc3)cc12.C#Cc1c[nH]c2ncc(-c3ccccc3F)cc12.C#Cc1c[nH]c2ncc(-c3cccs3)cc12.C#Cc1c[nH]c2ncc(-c3ccoc3)cc12.C#Cc1c[nH]c2ncc(-c3ccsc3)cc12.CCCNC(=O)C#Cc1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.CN(C)c1ccc(-c2cnc3[nH]cc(C#Cc4ccccc4)c3c2)cc1.N#Cc1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.

What is the InChIKey of N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide?

The InChIKey is JKVJWMNGHWIPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2.C23H19N3.C20H13N3O.2C17H15N3.C15H9FN2.C13H8N2O.2C13H8N2S/c1-2-14-26-24(29)13-12-18-16-27-25-22(18)15-19(17-28-25)21-10-6-7-11-23(21)30-20-8-4-3-5-9-20;1-26(2)21-12-10-18(11-13-21)20-14-22-19(15-24-23(22)25-16-20)9-8-17-6-4-3-5-7-17;21-11-15-13-23-20-18(15)10-14(12-22-20)17-8-4-5-9-19(17)24-16-6-2-1-3-7-16;2*1-4-12-10-18-17-16(12)9-14(11-19-17)13-5-7-15(8-6-13)20(2)3;1-2-10-8-17-15-13(10)7-11(9-18-15)12-5-3-4-6-14(12)16;2*1-2-9-6-14-13-12(9)5-11(7-15-13)10-3-4-16-8-10;1-2-9-7-14-13-11(9)6-10(8-15-13)12-4-3-5-16-12/h3-11,15-17H,2,14H2,1H3,(H,26,29)(H,27,28);3-7,10-16H,1-2H3,(H,24,25);1-10,12-13H,(H,22,23);2*1,5-11H,2-3H3,(H,18,19);1,3-9H,(H,17,18);3*1,3-8H,(H,14,15).

What are the key properties of N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide?

N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide has a molecular weight of 2459.93 g/mol, XLogP of 33.74, 18 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[3-(2-phenylethynyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;bis(4-(3-ethynyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylaniline);3-ethynyl-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine;3-ethynyl-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylprop-2-ynamide is sourced from PubChem (CID 158946064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).