2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid

C47H49BBrF2N9O3Si — CID 159843716

About 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid

2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid (PubChem CID 159843716) has the molecular formula C47H49BBrF2N9O3Si and a molecular weight of 944.77 g/mol. Its IUPAC name is 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid.

Molecular Properties

• Compound Name: 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid
• PubChem CID: 159843716
• Molecular Formula: C47H49BBrF2N9O3Si
• Molecular Weight: 944.77 g/mol
• Exact Mass: 943.30
• IUPAC Name: 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid
• SMILES: C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CC(F)C3)c2)c2cc(Br)ccc21.FC1CN(c2cc(C3=NCc4ccc(-c5cccnc5)cc43)ccn2)C1.OB(O)c1cccnc1
• InChI: InChI=1S/C21H26BrFN4OSi.C21H17FN4.C5H6BNO2/c1-29(2,3)9-8-28-14-27-19-5-4-16(22)11-18(19)21(25-27)15-6-7-24-20(10-15)26-12-17(23)13-26;22-18-12-26(13-18)20-9-15(5-7-24-20)21-19-8-14(3-4-17(19)11-25-21)16-2-1-6-23-10-16;8-6(9)5-2-1-3-7-4-5/h4-7,10-11,17H,8-9,12-14H2,1-3H3;1-10,18H,11-13H2;1-4,8-9H
• InChIKey: NPADGQFWPJUDLU-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 137.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	944.77
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid?

The IUPAC name of 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid (CID 159843716) is 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid.

What is the SMILES notation for 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid?

The canonical SMILES for 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CC(F)C3)c2)c2cc(Br)ccc21.FC1CN(c2cc(C3=NCc4ccc(-c5cccnc5)cc43)ccn2)C1.OB(O)c1cccnc1.

What is the InChIKey of 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid?

The InChIKey is NPADGQFWPJUDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrFN4OSi.C21H17FN4.C5H6BNO2/c1-29(2,3)9-8-28-14-27-19-5-4-16(22)11-18(19)21(25-27)15-6-7-24-20(10-15)26-12-17(23)13-26;22-18-12-26(13-18)20-9-15(5-7-24-20)21-19-8-14(3-4-17(19)11-25-21)16-2-1-6-23-10-16;8-6(9)5-2-1-3-7-4-5/h4-7,10-11,17H,8-9,12-14H2,1-3H3;1-10,18H,11-13H2;1-4,8-9H.

What are the key properties of 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid?

2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid has a molecular weight of 944.77 g/mol, XLogP of 7.75, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid is sourced from PubChem (CID 159843716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).