4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

C74H66N14O7S3 — CID 159190562

About 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline

4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (PubChem CID 159190562) has the molecular formula C74H66N14O7S3 and a molecular weight of 1359.63 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• PubChem CID: 159190562
• Molecular Formula: C74H66N14O7S3
• Molecular Weight: 1359.63 g/mol
• Exact Mass: 1358.44
• IUPAC Name: 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
• SMILES: CN(C)c1ccc(-c2cnc3c(c2)c(-c2cnc[nH]2)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2ncc[nH]2)cn3S(=O)(=O)c2ccccc2)cc1.Cc1noc(C)c1-c1cn(S(=O)(=O)c2ccccc2)c2ncc(-c3ccc(N(C)C)cc3)cc12
• InChI: InChI=1S/C26H24N4O3S.2C24H21N5O2S/c1-17-25(18(2)33-28-17)24-16-30(34(31,32)22-8-6-5-7-9-22)26-23(24)14-20(15-27-26)19-10-12-21(13-11-19)29(3)4;1-28(2)19-10-8-17(9-11-19)18-12-21-22(23-14-25-16-27-23)15-29(24(21)26-13-18)32(30,31)20-6-4-3-5-7-20;1-28(2)19-10-8-17(9-11-19)18-14-21-22(23-25-12-13-26-23)16-29(24(21)27-15-18)32(30,31)20-6-4-3-5-7-20/h5-16H,1-4H3;3-16H,1-2H3,(H,25,27);3-16H,1-2H3,(H,25,26)
• InChIKey: KOALOFLLAHBHMO-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 248.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1359.63
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The IUPAC name of 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline (CID 159190562) is 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline.

What is the SMILES notation for 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The canonical SMILES for 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cnc3c(c2)c(-c2cnc[nH]2)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(-c2ncc[nH]2)cn3S(=O)(=O)c2ccccc2)cc1.Cc1noc(C)c1-c1cn(S(=O)(=O)c2ccccc2)c2ncc(-c3ccc(N(C)C)cc3)cc12.

What is the InChIKey of 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

The InChIKey is KOALOFLLAHBHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S.2C24H21N5O2S/c1-17-25(18(2)33-28-17)24-16-30(34(31,32)22-8-6-5-7-9-22)26-23(24)14-20(15-27-26)19-10-12-21(13-11-19)29(3)4;1-28(2)19-10-8-17(9-11-19)18-12-21-22(23-14-25-16-27-23)15-29(24(21)26-13-18)32(30,31)20-6-4-3-5-7-20;1-28(2)19-10-8-17(9-11-19)18-14-21-22(23-25-12-13-26-23)16-29(24(21)27-15-18)32(30,31)20-6-4-3-5-7-20/h5-16H,1-4H3;3-16H,1-2H3,(H,25,27);3-16H,1-2H3,(H,25,26).

What are the key properties of 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline?

4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline has a molecular weight of 1359.63 g/mol, XLogP of 14.07, 15 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(benzenesulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1H-imidazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 159190562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).