sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane

C80H79BBr5IN17NaO12S3 — CID 159038175

About sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane

sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane (PubChem CID 159038175) has the molecular formula C80H79BBr5IN17NaO12S3 and a molecular weight of 2127.05 g/mol. Its IUPAC name is sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane.

Molecular Properties

• Compound Name: sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane
• PubChem CID: 159038175
• Molecular Formula: C80H79BBr5IN17NaO12S3
• Molecular Weight: 2127.05 g/mol
• Exact Mass: 2121.02
• IUPAC Name: sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane
• SMILES: Brc1ccnc2[nH]c(-c3cn[nH]c3)cc12.Brc1ccnc2[nH]ccc12.C1CCOC1.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.Cc1ccc(S(=O)(=O)n2c(-c3cn[nH]c3)cc3c(Br)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2c(I)cc3c(Br)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Br)ccnc32)cc1.[NH-]O.[Na+]
• InChI: InChI=1S/C17H13BrN4O2S.C14H23BN2O4.C14H10BrIN2O2S.C14H11BrN2O2S.C10H7BrN4.C7H5BrN2.C4H8O.H2NO.Na/c1-11-2-4-13(5-3-11)25(23,24)22-16(12-9-20-21-10-12)8-14-15(18)6-7-19-17(14)22;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;1-9-2-4-10(5-3-9)21(19,20)18-13(16)8-11-12(15)6-7-17-14(11)18;1-10-2-4-11(5-3-10)20(18,19)17-9-7-12-13(15)6-8-16-14(12)17;11-8-1-2-12-10-7(8)3-9(15-10)6-4-13-14-5-6;8-6-2-4-10-7-5(6)1-3-9-7;1-2-4-5-3-1;1-2;/h2-10H,1H3,(H,20,21);8-9H,1-7H3;2-8H,1H3;2-9H,1H3;1-5H,(H,12,15)(H,13,14);1-4H,(H,9,10);1-4H2;1-2H;/q;;;;;;;-1;+1
• InChIKey: JVSFRGOOVAFGOZ-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 386.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2127.05
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane?

The IUPAC name of sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane (CID 159038175) is sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane.

What is the SMILES notation for sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane?

The canonical SMILES for sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane is Brc1ccnc2[nH]c(-c3cn[nH]c3)cc12.Brc1ccnc2[nH]ccc12.C1CCOC1.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.Cc1ccc(S(=O)(=O)n2c(-c3cn[nH]c3)cc3c(Br)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2c(I)cc3c(Br)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Br)ccnc32)cc1.[NH-]O.[Na+].

What is the InChIKey of sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane?

The InChIKey is JVSFRGOOVAFGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2S.C14H23BN2O4.C14H10BrIN2O2S.C14H11BrN2O2S.C10H7BrN4.C7H5BrN2.C4H8O.H2NO.Na/c1-11-2-4-13(5-3-11)25(23,24)22-16(12-9-20-21-10-12)8-14-15(18)6-7-19-17(14)22;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;1-9-2-4-10(5-3-9)21(19,20)18-13(16)8-11-12(15)6-7-17-14(11)18;1-10-2-4-11(5-3-10)20(18,19)17-9-7-12-13(15)6-8-16-14(12)17;11-8-1-2-12-10-7(8)3-9(15-10)6-4-13-14-5-6;8-6-2-4-10-7-5(6)1-3-9-7;1-2-4-5-3-1;1-2;/h2-10H,1H3,(H,20,21);8-9H,1-7H3;2-8H,1H3;2-9H,1H3;1-5H,(H,12,15)(H,13,14);1-4H,(H,9,10);1-4H2;1-2H;/q;;;;;;;-1;+1.

What are the key properties of sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane?

sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane has a molecular weight of 2127.05 g/mol, XLogP of 16.26, 9 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonyl-2-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-2-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;hydroxyazanide;oxolane is sourced from PubChem (CID 159038175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).