2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride

C59H71Br3ClF4N11O2Si2 — CID 158427480

About 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride

2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride (PubChem CID 158427480) has the molecular formula C59H71Br3ClF4N11O2Si2 and a molecular weight of 1373.62 g/mol. Its IUPAC name is 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride.

Molecular Properties

• Compound Name: 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride
• PubChem CID: 158427480
• Molecular Formula: C59H71Br3ClF4N11O2Si2
• Molecular Weight: 1373.62 g/mol
• Exact Mass: 1369.25
• IUPAC Name: 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride
• SMILES: C.C[Si](C)(C)CCOCn1nc(-c2ccnc(F)c2)c2cc(Br)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CC(F)C3)c2)c2cc(Br)ccc21.Cl.FC1CN(c2cc(C3=NCc4ccc(Br)cc43)ccn2)C1.FC1CNC1
• InChI: InChI=1S/C21H26BrFN4OSi.C18H21BrFN3OSi.C16H13BrFN3.C3H6FN.CH4.ClH/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;1-25(2,3)9-8-24-12-23-16-5-4-14(19)11-15(16)18(22-23)13-6-7-21-17(20)10-13;17-12-2-1-11-7-20-16(14(11)6-12)10-3-4-19-15(5-10)21-8-13(18)9-21;4-3-1-5-2-3;;/h4-7,10-11,17H,8-9,12-14H2,1-3H3;4-7,10-11H,8-9,12H2,1-3H3;1-6,13H,7-9H2;3,5H,1-2H2;1H4;1H
• InChIKey: WYLRBOKBJTZFKE-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 123.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1373.62
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride?

The IUPAC name of 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride (CID 158427480) is 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride.

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

The canonical SMILES for 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride is C.C[Si](C)(C)CCOCn1nc(-c2ccnc(F)c2)c2cc(Br)ccc21.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CC(F)C3)c2)c2cc(Br)ccc21.Cl.FC1CN(c2cc(C3=NCc4ccc(Br)cc43)ccn2)C1.FC1CNC1.

What is the InChIKey of 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride?

The InChIKey is WYLRBOKBJTZFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrFN4OSi.C18H21BrFN3OSi.C16H13BrFN3.C3H6FN.CH4.ClH/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;1-25(2,3)9-8-24-12-23-16-5-4-14(19)11-15(16)18(22-23)13-6-7-21-17(20)10-13;17-12-2-1-11-7-20-16(14(11)6-12)10-3-4-19-15(5-10)21-8-13(18)9-21;4-3-1-5-2-3;;/h4-7,10-11,17H,8-9,12-14H2,1-3H3;4-7,10-11H,8-9,12H2,1-3H3;1-6,13H,7-9H2;3,5H,1-2H2;1H4;1H.

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

2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride has a molecular weight of 1373.62 g/mol, XLogP of 14.98, 15 rotatable bonds, 1 hydrogen bond donors, and 13 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;5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]-1H-isoindole;2-[[5-bromo-3-(2-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;3-fluoroazetidine;methane;hydrochloride is sourced from PubChem (CID 158427480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).