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

C23H31FN4O3Si — CID 90391089

IUPAC2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(OCF)ccc21
InChIInChI=1S/C23H31FN4O3Si/c1-32(2,3)13-12-30-17-28-21-5-4-19(31-16-24)15-20(21)23(26-28)18-6-7-25-22(14-18)27-8-10-29-11-9-27/h4-7,14-15H,8-13,16-17H2,1-3H3
InChIKeyPKGBJBOYPIFERQ-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.55
Rot. Bonds9

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

2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90391089) has the molecular formula C23H31FN4O3Si and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90391089
Molecular FormulaC23H31FN4O3Si
Molecular Weight458.61 g/mol
Exact Mass458.21
IUPAC Name2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(OCF)ccc21
InChIInChI=1S/C23H31FN4O3Si/c1-32(2,3)13-12-30-17-28-21-5-4-19(31-16-24)15-20(21)23(26-28)18-6-7-25-22(14-18)27-8-10-29-11-9-27/h4-7,14-15H,8-13,16-17H2,1-3H3
InChIKeyPKGBJBOYPIFERQ-UHFFFAOYSA-N
XLogP4.55
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90391089) is 2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(OCF)ccc21.
What is the InChIKey of 2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is PKGBJBOYPIFERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O3Si/c1-32(2,3)13-12-30-17-28-21-5-4-19(31-16-24)15-20(21)23(26-28)18-6-7-25-22(14-18)27-8-10-29-11-9-27/h4-7,14-15H,8-13,16-17H2,1-3H3.
What are the key properties of 2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 458.61 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(fluoromethoxy)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90391089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).