1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde

C105H92N14O12S3Si2 — CID 161148310

About 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde

1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde (PubChem CID 161148310) has the molecular formula C105H92N14O12S3Si2 and a molecular weight of 1894.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde
• PubChem CID: 161148310
• Molecular Formula: C105H92N14O12S3Si2
• Molecular Weight: 1894.35 g/mol
• Exact Mass: 1892.57
• IUPAC Name: 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde
• SMILES: CC(C)(C)[Si](C)(C)n1cc(-c2cnn(S(=O)(=O)c3ccccc3)c2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.CC(C)(C)[Si](C)(C)n1cc(-c2coc(C=O)c2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccn3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ncn[nH]3)cnc21
• InChI: InChI=1S/C34H34N4O3SSi.C30H30N2O3Si.C22H15N3O3S.C19H13N5O3S/c1-34(2,3)43(4,5)37-24-31(26-22-36-38(23-26)42(39,40)28-16-10-7-11-17-28)30-20-25(21-35-33(30)37)29-18-12-13-19-32(29)41-27-14-8-6-9-15-27;1-30(2,3)36(4,5)32-18-27(22-15-24(19-33)34-20-22)26-16-21(17-31-29(26)32)25-13-9-10-14-28(25)35-23-11-7-6-8-12-23;26-29(27,18-6-2-1-3-7-18)25-14-20(16-9-11-28-15-16)19-12-17(13-24-22(19)25)21-8-4-5-10-23-21;25-28(26,15-4-2-1-3-5-15)24-10-17(13-6-7-27-11-13)16-8-14(9-20-19(16)24)18-21-12-22-23-18/h6-24H,1-5H3;6-20H,1-5H3;1-15H;1-12H,(H,21,22,23)
• InChIKey: UOIRAJBCXBNQPI-UHFFFAOYSA-N
• XLogP: 24.78
• TPSA: 320.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.35
LogP ≤ 5	24.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde?

The IUPAC name of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde (CID 161148310) is 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde.

What is the SMILES notation for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde?

The canonical SMILES for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde is CC(C)(C)[Si](C)(C)n1cc(-c2cnn(S(=O)(=O)c3ccccc3)c2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.CC(C)(C)[Si](C)(C)n1cc(-c2coc(C=O)c2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccn3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ncn[nH]3)cnc21.

What is the InChIKey of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde?

The InChIKey is UOIRAJBCXBNQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O3SSi.C30H30N2O3Si.C22H15N3O3S.C19H13N5O3S/c1-34(2,3)43(4,5)37-24-31(26-22-36-38(23-26)42(39,40)28-16-10-7-11-17-28)30-20-25(21-35-33(30)37)29-18-12-13-19-32(29)41-27-14-8-6-9-15-27;1-30(2,3)36(4,5)32-18-27(22-15-24(19-33)34-20-22)26-16-21(17-31-29(26)32)25-13-9-10-14-28(25)35-23-11-7-6-8-12-23;26-29(27,18-6-2-1-3-7-18)25-14-20(16-9-11-28-15-16)19-12-17(13-24-22(19)25)21-8-4-5-10-23-21;25-28(26,15-4-2-1-3-5-15)24-10-17(13-6-7-27-11-13)16-8-14(9-20-19(16)24)18-21-12-22-23-18/h6-24H,1-5H3;6-20H,1-5H3;1-15H;1-12H,(H,21,22,23).

What are the key properties of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde?

1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde has a molecular weight of 1894.35 g/mol, XLogP of 24.78, 21 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde is sourced from PubChem (CID 161148310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).