2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline

C62H48BBrN8O2 — CID 158280108

About 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline

2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline (PubChem CID 158280108) has the molecular formula C62H48BBrN8O2 and a molecular weight of 1027.84 g/mol. Its IUPAC name is 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline
• PubChem CID: 158280108
• Molecular Formula: C62H48BBrN8O2
• Molecular Weight: 1027.84 g/mol
• Exact Mass: 1026.32
• IUPAC Name: 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline
• SMILES: Brc1ccc(-c2cc3cc4ccccc4cn3n2)cc1.CC1(C)OB(c2cc3cc4ccccc4cn3n2)OC1(C)C.c1ccc2cn3nc(-c4ccc(-c5cc6cc7ccccc7cn6n5)cc4)cc3cc2c1
• InChI: InChI=1S/C28H18N4.C17H19BN2O2.C17H11BrN2/c1-3-7-23-17-31-25(13-21(23)5-1)15-27(29-31)19-9-11-20(12-10-19)28-16-26-14-22-6-2-4-8-24(22)18-32(26)30-28;1-16(2)17(3,4)22-18(21-16)15-10-14-9-12-7-5-6-8-13(12)11-20(14)19-15;18-15-7-5-12(6-8-15)17-10-16-9-13-3-1-2-4-14(13)11-20(16)19-17/h1-18H;5-11H,1-4H3;1-11H
• InChIKey: GKCKGDQEHSFITG-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 87.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.84
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline?

The IUPAC name of 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline (CID 158280108) is 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline.

What is the SMILES notation for 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline?

The canonical SMILES for 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline is Brc1ccc(-c2cc3cc4ccccc4cn3n2)cc1.CC1(C)OB(c2cc3cc4ccccc4cn3n2)OC1(C)C.c1ccc2cn3nc(-c4ccc(-c5cc6cc7ccccc7cn6n5)cc4)cc3cc2c1.

What is the InChIKey of 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline?

The InChIKey is GKCKGDQEHSFITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4.C17H19BN2O2.C17H11BrN2/c1-3-7-23-17-31-25(13-21(23)5-1)15-27(29-31)19-9-11-20(12-10-19)28-16-26-14-22-6-2-4-8-24(22)18-32(26)30-28;1-16(2)17(3,4)22-18(21-16)15-10-14-9-12-7-5-6-8-13(12)11-20(14)19-15;18-15-7-5-12(6-8-15)17-10-16-9-13-3-1-2-4-14(13)11-20(16)19-17/h1-18H;5-11H,1-4H3;1-11H.

What are the key properties of 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline?

2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline has a molecular weight of 1027.84 g/mol, XLogP of 14.33, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)pyrazolo[1,5-b]isoquinoline;2-(4-pyrazolo[1,5-b]isoquinolin-2-ylphenyl)pyrazolo[1,5-b]isoquinoline;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-b]isoquinoline is sourced from PubChem (CID 158280108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).