1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

C130H98F2N16O12S4 — CID 159521633

About 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 159521633) has the molecular formula C130H98F2N16O12S4 and a molecular weight of 2242.58 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
• PubChem CID: 159521633
• Molecular Formula: C130H98F2N16O12S4
• Molecular Weight: 2242.58 g/mol
• Exact Mass: 2240.64
• IUPAC Name: 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
• SMILES: COc1ccc(-c2cnc3c(c2)c(-c2cn[nH]c2)cn3S(=O)(=O)c2ccccc2)cc1OC.COc1ccc(-c2cnc3c(c2)c(-c2cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c2)cn3S(=O)(=O)c2ccccc2)cc1OC.O=S(=O)(c1ccccc1)n1cc(-c2cn[nH]c2)c2cc(-c3ccc(F)cc3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(-c3ccc(F)cc3)cnc21
• InChI: InChI=1S/C43H34N4O4S.C41H29FN4O2S.C24H20N4O4S.C22H15FN4O2S/c1-50-40-24-23-31(26-41(40)51-2)32-25-38-39(30-46(42(38)44-27-32)52(48,49)37-21-13-6-14-22-37)33-28-45-47(29-33)43(34-15-7-3-8-16-34,35-17-9-4-10-18-35)36-19-11-5-12-20-36;42-36-23-21-30(22-24-36)31-25-38-39(29-45(40(38)43-26-31)49(47,48)37-19-11-4-12-20-37)32-27-44-46(28-32)41(33-13-5-1-6-14-33,34-15-7-2-8-16-34)35-17-9-3-10-18-35;1-31-22-9-8-16(11-23(22)32-2)17-10-20-21(18-13-26-27-14-18)15-28(24(20)25-12-17)33(29,30)19-6-4-3-5-7-19;23-18-8-6-15(7-9-18)16-10-20-21(17-12-25-26-13-17)14-27(22(20)24-11-16)30(28,29)19-4-2-1-3-5-19/h3-30H,1-2H3;1-29H;3-15H,1-2H3,(H,26,27);1-14H,(H,25,26)
• InChIKey: MBWKFJRZNPSCQX-UHFFFAOYSA-N
• XLogP: 26.26
• TPSA: 337.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2242.58
LogP ≤ 5	26.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (CID 159521633) is 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3c(c2)c(-c2cn[nH]c2)cn3S(=O)(=O)c2ccccc2)cc1OC.COc1ccc(-c2cnc3c(c2)c(-c2cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c2)cn3S(=O)(=O)c2ccccc2)cc1OC.O=S(=O)(c1ccccc1)n1cc(-c2cn[nH]c2)c2cc(-c3ccc(F)cc3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(-c3ccc(F)cc3)cnc21.

What is the InChIKey of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?

The InChIKey is MBWKFJRZNPSCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N4O4S.C41H29FN4O2S.C24H20N4O4S.C22H15FN4O2S/c1-50-40-24-23-31(26-41(40)51-2)32-25-38-39(30-46(42(38)44-27-32)52(48,49)37-21-13-6-14-22-37)33-28-45-47(29-33)43(34-15-7-3-8-16-34,35-17-9-4-10-18-35)36-19-11-5-12-20-36;42-36-23-21-30(22-24-36)31-25-38-39(29-45(40(38)43-26-31)49(47,48)37-19-11-4-12-20-37)32-27-44-46(28-32)41(33-13-5-1-6-14-33,34-15-7-2-8-16-34)35-17-9-3-10-18-35;1-31-22-9-8-16(11-23(22)32-2)17-10-20-21(18-13-26-27-14-18)15-28(24(20)25-12-17)33(29,30)19-6-4-3-5-7-19;23-18-8-6-15(7-9-18)16-10-20-21(17-12-25-26-13-17)14-27(22(20)24-11-16)30(28,29)19-4-2-1-3-5-19/h3-30H,1-2H3;1-29H;3-15H,1-2H3,(H,26,27);1-14H,(H,25,26).

What are the key properties of 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?

1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 2242.58 g/mol, XLogP of 26.26, 28 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(4-fluorophenyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159521633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).