ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C74H77B2BrIN13O12 — CID 161493317

About ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161493317) has the molecular formula C74H77B2BrIN13O12 and a molecular weight of 1568.94 g/mol. Its IUPAC name is ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161493317
• Molecular Formula: C74H77B2BrIN13O12
• Molecular Weight: 1568.94 g/mol
• Exact Mass: 1567.42
• IUPAC Name: ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)c1cncc(-c2cnn3cc(-c4ccc(OC)cc4)cnc23)c1.CCOC(=O)c1cncc(Br)c1.CNC(=O)c1cncc(-c2cnn3cc(-c4ccc(OC)cc4)cnc23)c1.COc1ccc(-c2cnc3c(I)cnn3c2)cc1
• InChI: InChI=1S/C21H18N4O3.C20H17N5O2.C13H10IN3O.C12H24B2O4.C8H8BrNO2/c1-3-28-21(26)16-8-15(9-22-10-16)19-12-24-25-13-17(11-23-20(19)25)14-4-6-18(27-2)7-5-14;1-21-20(26)15-7-14(8-22-9-15)18-11-24-25-12-16(10-23-19(18)25)13-3-5-17(27-2)6-4-13;1-18-11-4-2-9(3-5-11)10-6-15-13-12(14)7-16-17(13)8-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-12-8(11)6-3-7(9)5-10-4-6/h4-13H,3H2,1-2H3;3-12H,1-2H3,(H,21,26);2-8H,1H3;1-8H3;3-5H,2H2,1H3
• InChIKey: WFWNHTATCBLQOC-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 275.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1568.94
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161493317) is ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOC(=O)c1cncc(-c2cnn3cc(-c4ccc(OC)cc4)cnc23)c1.CCOC(=O)c1cncc(Br)c1.CNC(=O)c1cncc(-c2cnn3cc(-c4ccc(OC)cc4)cnc23)c1.COc1ccc(-c2cnc3c(I)cnn3c2)cc1.

What is the InChIKey of ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is WFWNHTATCBLQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3.C20H17N5O2.C13H10IN3O.C12H24B2O4.C8H8BrNO2/c1-3-28-21(26)16-8-15(9-22-10-16)19-12-24-25-13-17(11-23-20(19)25)14-4-6-18(27-2)7-5-14;1-21-20(26)15-7-14(8-22-9-15)18-11-24-25-12-16(10-23-19(18)25)13-3-5-17(27-2)6-4-13;1-18-11-4-2-9(3-5-11)10-6-15-13-12(14)7-16-17(13)8-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-12-8(11)6-3-7(9)5-10-4-6/h4-13H,3H2,1-2H3;3-12H,1-2H3,(H,21,26);2-8H,1H3;1-8H3;3-5H,2H2,1H3.

What are the key properties of ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1568.94 g/mol, XLogP of 13.75, 14 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-bromopyridine-3-carboxylate;ethyl 5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-3-carboxylate;3-iodo-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;5-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-methylpyridine-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161493317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).