2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C23H27FN4O3SSi — CID 172557597

IUPAC2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(F)ccc1-c1c(-c2cnn(COCC[Si](C)(C)C)c2)nc(OC)c2ncsc12
InChIInChI=1S/C23H27FN4O3SSi/c1-29-18-10-16(24)6-7-17(18)19-20(27-23(30-2)21-22(19)32-13-25-21)15-11-26-28(12-15)14-31-8-9-33(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3
InChIKeyXCIQIVIZLQAHIV-UHFFFAOYSA-N
MW486.65 g/mol
LogP5.69
Rot. Bonds9

About 2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 172557597) has the molecular formula C23H27FN4O3SSi and a molecular weight of 486.65 g/mol. Its IUPAC name is 2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID172557597
Molecular FormulaC23H27FN4O3SSi
Molecular Weight486.65 g/mol
Exact Mass486.16
IUPAC Name2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc(F)ccc1-c1c(-c2cnn(COCC[Si](C)(C)C)c2)nc(OC)c2ncsc12
InChIInChI=1S/C23H27FN4O3SSi/c1-29-18-10-16(24)6-7-17(18)19-20(27-23(30-2)21-22(19)32-13-25-21)15-11-26-28(12-15)14-31-8-9-33(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3
InChIKeyXCIQIVIZLQAHIV-UHFFFAOYSA-N
XLogP5.69
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 172557597) is 2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is COc1cc(F)ccc1-c1c(-c2cnn(COCC[Si](C)(C)C)c2)nc(OC)c2ncsc12.
What is the InChIKey of 2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is XCIQIVIZLQAHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3SSi/c1-29-18-10-16(24)6-7-17(18)19-20(27-23(30-2)21-22(19)32-13-25-21)15-11-26-28(12-15)14-31-8-9-33(3,4)5/h6-7,10-13H,8-9,14H2,1-5H3.
What are the key properties of 2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 486.65 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[7-(4-fluoro-2-methoxyphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 172557597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).