5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole — IUPAC name, SMILES, InChIKey & properties

Name: 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (PubChem CID 158286729) has the molecular formula C84H56F2N12O10S8 and a molecular weight of 1687.98 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name	5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
PubChem CID	158286729
Molecular Formula	C84H56F2N12O10S8
Molecular Weight	1687.98 g/mol
Exact Mass	1686.20
IUPAC Name	5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
SMILES	Cn1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)c1.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccc(F)cc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3cccs3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncco2)c2cc(-c3cccs3)cnc21
InChI	InChI=1S/C22H13F2N3O2S2.C22H17N3O3S.C20H13N3O3S2.C20H13N3O2S3/c23-15-6-7-17(20(24)9-15)14-8-18-19(21-11-25-13-30-21)12-27(22(18)26-10-14)31(28,29)16-4-2-1-3-5-16;1-24-9-7-16(13-24)18-11-20-21(17-8-10-28-15-17)14-25(22(20)23-12-18)29(26,27)19-5-3-2-4-6-19;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;24-28(25,15-5-2-1-3-6-15)23-12-17(19-11-21-13-27-19)16-9-14(10-22-20(16)23)18-7-4-8-26-18/h1-13H;2-15H,1H3;2*1-13H
InChIKey	GKWFBCAWXJKUNE-UHFFFAOYSA-N
XLogP	19.66
TPSA	277.72 Å²
H-Bond Donors
H-Bond Acceptors	26
Rotatable Bonds	16
Heavy Atoms	116
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1687.98
LogP ≤ 5	19.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Analyze 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

The IUPAC name of 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (CID 158286729) is 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.

What is the SMILES notation for 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

The canonical SMILES for 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is Cn1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)c1.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccc(F)cc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3cccs3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2ncco2)c2cc(-c3cccs3)cnc21.

What is the InChIKey of 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

The InChIKey is GKWFBCAWXJKUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F2N3O2S2.C22H17N3O3S.C20H13N3O3S2.C20H13N3O2S3/c23-15-6-7-17(20(24)9-15)14-8-18-19(21-11-25-13-30-21)12-27(22(18)26-10-14)31(28,29)16-4-2-1-3-5-16;1-24-9-7-16(13-24)18-11-20-21(17-8-10-28-15-17)14-25(22(20)23-12-18)29(26,27)19-5-3-2-4-6-19;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;24-28(25,15-5-2-1-3-6-15)23-12-17(19-11-21-13-27-19)16-9-14(10-22-20(16)23)18-7-4-8-26-18/h1-13H;2-15H,1H3;2*1-13H.

What are the key properties of 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?

Where does this data come from?

All data for 5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 158286729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).