2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C21H26BrFN4OSi — CID 90401042

IUPAC2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CC(F)C3)c2)c2cc(Br)ccc21
InChIInChI=1S/C21H26BrFN4OSi/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/h4-7,10-11,17H,8-9,12-14H2,1-3H3
InChIKeySKTQRTKDEZHDJE-UHFFFAOYSA-N
MW477.45 g/mol
LogP5.33
Rot. Bonds7

About 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90401042) has the molecular formula C21H26BrFN4OSi and a molecular weight of 477.45 g/mol. Its IUPAC name is 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90401042
Molecular FormulaC21H26BrFN4OSi
Molecular Weight477.45 g/mol
Exact Mass476.10
IUPAC Name2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CC(F)C3)c2)c2cc(Br)ccc21
InChIInChI=1S/C21H26BrFN4OSi/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/h4-7,10-11,17H,8-9,12-14H2,1-3H3
InChIKeySKTQRTKDEZHDJE-UHFFFAOYSA-N
XLogP5.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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?
The IUPAC name of 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90401042) is 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CC(F)C3)c2)c2cc(Br)ccc21.
What is the InChIKey of 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is SKTQRTKDEZHDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrFN4OSi/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/h4-7,10-11,17H,8-9,12-14H2,1-3H3.
What are the key properties of 2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 477.45 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 90401042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).