5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C126H110F2N30O8S2 — CID 162264847

About 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162264847) has the molecular formula C126H110F2N30O8S2 and a molecular weight of 2274.60 g/mol. Its IUPAC name is 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 162264847
• Molecular Formula: C126H110F2N30O8S2
• Molecular Weight: 2274.60 g/mol
• Exact Mass: 2272.85
• IUPAC Name: 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: CCCCCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cn1cc(-c2c[nH]c3ncc(Oc4ccc(F)cc4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(Oc4ccccc4)cc23)cn1.Nc1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1cnc2[nH]cc(-c3ccoc3)c2c1)c1ccc(F)cc1.O=S(c1ccccc1)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.c1ccc(Sc2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
• InChI: InChI=1S/C18H12FN3O2.C17H13FN4O.C17H14N4O.C17H22N4O.C16H12N4OS.C16H12N4S.C14H16N4O.C11H9N3O/c19-13-3-1-11(2-4-13)18(23)22-14-7-15-16(12-5-6-24-10-12)9-21-17(15)20-8-14;1-22-10-11(7-21-22)16-9-20-17-15(16)6-14(8-19-17)23-13-4-2-12(18)3-5-13;1-21-11-12(8-20-21)16-10-19-17-15(16)7-14(9-18-17)22-13-5-3-2-4-6-13;1-3-4-5-6-7-22-14-8-15-16(11-19-17(15)18-10-14)13-9-20-21(2)12-13;21-22(12-4-2-1-3-5-12)13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;1-2-4-12(5-3-1)21-13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;1-3-4-19-11-5-12-13(8-16-14(12)15-7-11)10-6-17-18(2)9-10;12-8-3-9-10(7-1-2-15-6-7)5-14-11(9)13-4-8/h1-10H,(H,20,21)(H,22,23);2-10H,1H3,(H,19,20);2-11H,1H3,(H,18,19);8-12H,3-7H2,1-2H3,(H,18,19);1-10H,(H,17,18)(H,19,20);1-10H,(H,17,18)(H,19,20);5-9H,3-4H2,1-2H3,(H,15,16);1-6H,12H2,(H,13,14)
• InChIKey: ZZTLBXAUEXECOC-UHFFFAOYSA-N
• XLogP: 28.17
• TPSA: 493.47 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2274.60
LogP ≤ 5	28.17
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 162264847) is 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is CCCCCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.CCCOc1cnc2[nH]cc(-c3cnn(C)c3)c2c1.Cn1cc(-c2c[nH]c3ncc(Oc4ccc(F)cc4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(Oc4ccccc4)cc23)cn1.Nc1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Nc1cnc2[nH]cc(-c3ccoc3)c2c1)c1ccc(F)cc1.O=S(c1ccccc1)c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.c1ccc(Sc2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.

What is the InChIKey of 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is ZZTLBXAUEXECOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2.C17H13FN4O.C17H14N4O.C17H22N4O.C16H12N4OS.C16H12N4S.C14H16N4O.C11H9N3O/c19-13-3-1-11(2-4-13)18(23)22-14-7-15-16(12-5-6-24-10-12)9-21-17(15)20-8-14;1-22-10-11(7-21-22)16-9-20-17-15(16)6-14(8-19-17)23-13-4-2-12(18)3-5-13;1-21-11-12(8-20-21)16-10-19-17-15(16)7-14(9-18-17)22-13-5-3-2-4-6-13;1-3-4-5-6-7-22-14-8-15-16(11-19-17(15)18-10-14)13-9-20-21(2)12-13;21-22(12-4-2-1-3-5-12)13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;1-2-4-12(5-3-1)21-13-6-14-15(11-7-19-20-8-11)10-18-16(14)17-9-13;1-3-4-19-11-5-12-13(8-16-14(12)15-7-11)10-6-17-18(2)9-10;12-8-3-9-10(7-1-2-15-6-7)5-14-11(9)13-4-8/h1-10H,(H,20,21)(H,22,23);2-10H,1H3,(H,19,20);2-11H,1H3,(H,18,19);8-12H,3-7H2,1-2H3,(H,18,19);1-10H,(H,17,18)(H,19,20);1-10H,(H,17,18)(H,19,20);5-9H,3-4H2,1-2H3,(H,15,16);1-6H,12H2,(H,13,14).

What are the key properties of 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2274.60 g/mol, XLogP of 28.17, 27 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(benzenesulfinyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;5-(4-fluorophenoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;5-hexoxy-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-phenoxy-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propoxy-1H-pyrrolo[2,3-b]pyridine;5-phenylsulfanyl-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162264847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).