sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C77H83B2ClN15NaO11S3 — CID 158244194

About sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane

sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158244194) has the molecular formula C77H83B2ClN15NaO11S3 and a molecular weight of 1570.87 g/mol. Its IUPAC name is sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 158244194
• Molecular Formula: C77H83B2ClN15NaO11S3
• Molecular Weight: 1570.87 g/mol
• Exact Mass: 1569.53
• IUPAC Name: sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OBOC1(C)C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccnc(C)n4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(C)ccnc32)cc1.Cc1nccc(-c2ccnc3[nH]ccc23)n1.Cc1nccc(Cl)n1.[NH-]O.[Na+]
• InChI: InChI=1S/C20H23BN2O4S.C19H16N4O2S.C15H14N2O2S.C12H10N4.C6H13BO2.C5H5ClN2.H2NO.Na/c1-14-6-8-15(9-7-14)28(24,25)23-13-11-16-17(10-12-22-18(16)23)21-26-19(2,3)20(4,5)27-21;1-13-3-5-15(6-4-13)26(24,25)23-12-9-17-16(7-10-21-19(17)23)18-8-11-20-14(2)22-18;1-11-3-5-13(6-4-11)20(18,19)17-10-8-14-12(2)7-9-16-15(14)17;1-8-13-7-4-11(16-8)9-2-5-14-12-10(9)3-6-15-12;1-5(2)6(3,4)9-7-8-5;1-4-7-3-2-5(6)8-4;1-2;/h6-13H,1-5H3;3-12H,1-2H3;3-10H,1-2H3;2-7H,1H3,(H,14,15);7H,1-4H3;2-3H,1H3;1-2H;/q;;;;;;-1;+1
• InChIKey: GFXNWCQVIGALQB-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 342.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1570.87
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158244194) is sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OBOC1(C)C.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccnc(C)n4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)ccnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(C)ccnc32)cc1.Cc1nccc(-c2ccnc3[nH]ccc23)n1.Cc1nccc(Cl)n1.[NH-]O.[Na+].

What is the InChIKey of sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is GFXNWCQVIGALQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BN2O4S.C19H16N4O2S.C15H14N2O2S.C12H10N4.C6H13BO2.C5H5ClN2.H2NO.Na/c1-14-6-8-15(9-7-14)28(24,25)23-13-11-16-17(10-12-22-18(16)23)21-26-19(2,3)20(4,5)27-21;1-13-3-5-15(6-4-13)26(24,25)23-12-9-17-16(7-10-21-19(17)23)18-8-11-20-14(2)22-18;1-11-3-5-13(6-4-11)20(18,19)17-10-8-14-12(2)7-9-16-15(14)17;1-8-13-7-4-11(16-8)9-2-5-14-12-10(9)3-6-15-12;1-5(2)6(3,4)9-7-8-5;1-4-7-3-2-5(6)8-4;1-2;/h6-13H,1-5H3;3-12H,1-2H3;3-10H,1-2H3;2-7H,1H3,(H,14,15);7H,1-4H3;2-3H,1H3;1-2H;/q;;;;;;-1;+1.

What are the key properties of sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1570.87 g/mol, XLogP of 11.17, 9 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158244194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).