3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

C141H125F3N20O13S13 — CID 157451413

About 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157451413) has the molecular formula C141H125F3N20O13S13 and a molecular weight of 2781.54 g/mol. Its IUPAC name is 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157451413
• Molecular Formula: C141H125F3N20O13S13
• Molecular Weight: 2781.54 g/mol
• Exact Mass: 2778.61
• IUPAC Name: 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: CCN(CC)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CCN(CC)S(=O)(=O)c1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.CN(C)S(=O)(=O)c1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.FC(F)(F)Oc1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.O=S(=O)(c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1)N1CCC1.O=S(=O)(c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1)N1CCCC1.O=S(=O)(c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1)N1CCCC1
• InChI: InChI=1S/2C21H19N3O2S2.2C21H21N3O2S2.C20H17N3O2S2.C19H17N3O2S2.C18H11F3N2OS/c25-28(26,24-10-1-2-11-24)17-5-3-15(4-6-17)19-13-23-21-20(19)18(7-9-22-21)16-8-12-27-14-16;25-28(26,24-9-1-2-10-24)17-5-3-4-15(12-17)19-13-23-21-20(19)18(6-8-22-21)16-7-11-27-14-16;1-3-24(4-2)28(25,26)17-7-5-6-15(12-17)19-13-23-21-20(19)18(8-10-22-21)16-9-11-27-14-16;1-3-24(4-2)28(25,26)19-8-6-5-7-17(19)18-13-23-21-20(18)16(9-11-22-21)15-10-12-27-14-15;24-27(25,23-9-1-10-23)16-4-2-14(3-5-16)18-12-22-20-19(18)17(6-8-21-20)15-7-11-26-13-15;1-22(2)26(23,24)17-6-4-3-5-15(17)16-11-21-19-18(16)14(7-9-20-19)13-8-10-25-12-13;19-18(20,21)24-15-4-2-1-3-13(15)14-9-23-17-16(14)12(5-7-22-17)11-6-8-25-10-11/h3-9,12-14H,1-2,10-11H2,(H,22,23);3-8,11-14H,1-2,9-10H2,(H,22,23);2*5-14H,3-4H2,1-2H3,(H,22,23);2-8,11-13H,1,9-10H2,(H,21,22);3-12H,1-2H3,(H,20,21);1-10H,(H,22,23)
• InChIKey: BSVOODLTJASHDI-UHFFFAOYSA-N
• XLogP: 33.88
• TPSA: 434.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2781.54
LogP ≤ 5	33.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 157451413) is 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is CCN(CC)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CCN(CC)S(=O)(=O)c1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.CN(C)S(=O)(=O)c1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.FC(F)(F)Oc1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.O=S(=O)(c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1)N1CCC1.O=S(=O)(c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1)N1CCCC1.O=S(=O)(c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1)N1CCCC1.

What is the InChIKey of 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is BSVOODLTJASHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19N3O2S2.2C21H21N3O2S2.C20H17N3O2S2.C19H17N3O2S2.C18H11F3N2OS/c25-28(26,24-10-1-2-11-24)17-5-3-15(4-6-17)19-13-23-21-20(19)18(7-9-22-21)16-8-12-27-14-16;25-28(26,24-9-1-2-10-24)17-5-3-4-15(12-17)19-13-23-21-20(19)18(6-8-22-21)16-7-11-27-14-16;1-3-24(4-2)28(25,26)17-7-5-6-15(12-17)19-13-23-21-20(19)18(8-10-22-21)16-9-11-27-14-16;1-3-24(4-2)28(25,26)19-8-6-5-7-17(19)18-13-23-21-20(18)16(9-11-22-21)15-10-12-27-14-15;24-27(25,23-9-1-10-23)16-4-2-14(3-5-16)18-12-22-20-19(18)17(6-8-21-20)15-7-11-26-13-15;1-22(2)26(23,24)17-6-4-3-5-15(17)16-11-21-19-18(16)14(7-9-20-19)13-8-10-25-12-13;19-18(20,21)24-15-4-2-1-3-13(15)14-9-23-17-16(14)12(5-7-22-17)11-6-8-25-10-11/h3-9,12-14H,1-2,10-11H2,(H,22,23);3-8,11-14H,1-2,9-10H2,(H,22,23);2*5-14H,3-4H2,1-2H3,(H,22,23);2-8,11-13H,1,9-10H2,(H,21,22);3-12H,1-2H3,(H,20,21);1-10H,(H,22,23).

What are the key properties of 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?

3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2781.54 g/mol, XLogP of 33.88, 31 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157451413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).