1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde — IUPAC name, SMILES, InChIKey & properties

Name: 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;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;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde (PubChem CID 162089300) has the molecular formula C95H74N10O13S4Si and a molecular weight of 1720.05 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;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;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde
PubChem CID	162089300
Molecular Formula	C95H74N10O13S4Si
Molecular Weight	1720.05 g/mol
Exact Mass	1718.41
IUPAC Name	1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;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(-c2coc(C=O)c2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccc3O)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccn3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncco2)c2cc(-c3cccs3)cnc21
InChI	InChI=1S/C30H30N2O3Si.C23H16N2O4S.C22H15N3O3S.C20H13N3O3S2/c1-30(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;26-22-9-5-4-8-19(22)17-12-20-21(16-10-11-29-15-16)14-25(23(20)24-13-17)30(27,28)18-6-2-1-3-7-18;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;24-28(25,15-5-2-1-3-6-15)23-13-17(20-21-8-9-26-20)16-11-14(12-22-19(16)23)18-7-4-10-27-18/h6-20H,1-5H3;1-15,26H;1-15H;1-13H
InChIKey	ZDJQJMPDBAUTHX-UHFFFAOYSA-N
XLogP	22.58
TPSA	298.57 Å²
H-Bond Donors	1
H-Bond Acceptors	24
Rotatable Bonds	18
Heavy Atoms	123
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1720.05
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Analyze 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;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;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde (CID 162089300) is 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;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;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;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;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;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(-c2coc(C=O)c2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccc3O)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ccoc2)c2cc(-c3ccccn3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncco2)c2cc(-c3cccs3)cnc21.

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

The InChIKey is ZDJQJMPDBAUTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3Si.C23H16N2O4S.C22H15N3O3S.C20H13N3O3S2/c1-30(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;26-22-9-5-4-8-19(22)17-12-20-21(16-10-11-29-15-16)14-25(23(20)24-13-17)30(27,28)18-6-2-1-3-7-18;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;24-28(25,15-5-2-1-3-6-15)23-13-17(20-21-8-9-26-20)16-11-14(12-22-19(16)23)18-7-4-10-27-18/h6-20H,1-5H3;1-15,26H;1-15H;1-13H.

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

Where does this data come from?

All data for 1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]phenol;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;4-[1-[tert-butyl(dimethyl)silyl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]furan-2-carbaldehyde is sourced from PubChem (CID 162089300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).