3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C110H97N23O14S7 — CID 159142457

About 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 159142457) has the molecular formula C110H97N23O14S7 and a molecular weight of 2189.60 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

• Compound Name: 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
• PubChem CID: 159142457
• Molecular Formula: C110H97N23O14S7
• Molecular Weight: 2189.60 g/mol
• Exact Mass: 2187.56
• IUPAC Name: 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
• SMILES: CC(=O)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5)c4)c3c2)cc1.CCCS(=O)(=O)n1cc(-c2c[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)cn1.CCS(=O)(=O)n1cc(-c2c[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)cn1.CNC(=O)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5cccs5)c4)c3c2)cc1.CS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5)c4)c3c2)cc1
• InChI: InChI=1S/C24H18N4O3S.C23H18N4O4S2.C22H17N5O3S2.C21H23N5O2S.C20H21N5O2S/c1-16(29)17-7-9-18(10-8-17)19-11-22-23(14-26-24(22)25-12-19)20-13-27-28(15-20)32(30,31)21-5-3-2-4-6-21;1-32(28,29)19-9-7-16(8-10-19)17-11-21-22(14-25-23(21)24-12-17)18-13-26-27(15-18)33(30,31)20-5-3-2-4-6-20;1-23-22(28)15-6-4-14(5-7-15)16-9-18-19(12-25-21(18)24-10-16)17-11-26-27(13-17)32(29,30)20-3-2-8-31-20;1-4-9-29(27,28)26-14-17(12-24-26)20-13-23-21-19(20)10-16(11-22-21)15-5-7-18(8-6-15)25(2)3;1-4-28(26,27)25-13-16(11-23-25)19-12-22-20-18(19)9-15(10-21-20)14-5-7-17(8-6-14)24(2)3/h2-15H,1H3,(H,25,26);2-15H,1H3,(H,24,25);2-13H,1H3,(H,23,28)(H,24,25);5-8,10-14H,4,9H2,1-3H3,(H,22,23);5-13H,4H2,1-3H3,(H,21,22)
• InChIKey: KIGIUPUWOSHWNX-UHFFFAOYSA-N
• XLogP: 19.12
• TPSA: 489.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2189.60
LogP ≤ 5	19.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The IUPAC name of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 159142457) is 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

What is the SMILES notation for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The canonical SMILES for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is CC(=O)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5)c4)c3c2)cc1.CCCS(=O)(=O)n1cc(-c2c[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)cn1.CCS(=O)(=O)n1cc(-c2c[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)cn1.CNC(=O)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5cccs5)c4)c3c2)cc1.CS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)c5ccccc5)c4)c3c2)cc1.

What is the InChIKey of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

The InChIKey is KIGIUPUWOSHWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S.C23H18N4O4S2.C22H17N5O3S2.C21H23N5O2S.C20H21N5O2S/c1-16(29)17-7-9-18(10-8-17)19-11-22-23(14-26-24(22)25-12-19)20-13-27-28(15-20)32(30,31)21-5-3-2-4-6-21;1-32(28,29)19-9-7-16(8-10-19)17-11-21-22(14-25-23(21)24-12-17)18-13-26-27(15-18)33(30,31)20-5-3-2-4-6-20;1-23-22(28)15-6-4-14(5-7-15)16-9-18-19(12-25-21(18)24-10-16)17-11-26-27(13-17)32(29,30)20-3-2-8-31-20;1-4-9-29(27,28)26-14-17(12-24-26)20-13-23-21-19(20)10-16(11-22-21)15-5-7-18(8-6-15)25(2)3;1-4-28(26,27)25-13-16(11-23-25)19-12-22-20-18(19)9-15(10-21-20)14-5-7-17(8-6-14)24(2)3/h2-15H,1H3,(H,25,26);2-15H,1H3,(H,24,25);2-13H,1H3,(H,23,28)(H,24,25);5-8,10-14H,4,9H2,1-3H3,(H,22,23);5-13H,4H2,1-3H3,(H,21,22).

What are the key properties of 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?

3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 2189.60 g/mol, XLogP of 19.12, 26 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[3-[1-(benzenesulfonyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone;N,N-dimethyl-4-[3-(1-propylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;4-[3-(1-ethylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N-methyl-4-[3-(1-thiophen-2-ylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 159142457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).