2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

C24H28FN5OSi — CID 69350079

IUPAC2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2cc(-c3cn(COCC[Si](C)(C)C)nc3-c3ccccn3)ccc2F)cn1
InChIInChI=1S/C24H28FN5OSi/c1-29-15-19(14-27-29)20-13-18(8-9-22(20)25)21-16-30(17-31-11-12-32(2,3)4)28-24(21)23-7-5-6-10-26-23/h5-10,13-16H,11-12,17H2,1-4H3
InChIKeyLMKPWTXVXDZTLW-UHFFFAOYSA-N
MW449.61 g/mol
LogP5.46
Rot. Bonds8

About 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 69350079) has the molecular formula C24H28FN5OSi and a molecular weight of 449.61 g/mol. Its IUPAC name is 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID69350079
Molecular FormulaC24H28FN5OSi
Molecular Weight449.61 g/mol
Exact Mass449.20
IUPAC Name2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2cc(-c3cn(COCC[Si](C)(C)C)nc3-c3ccccn3)ccc2F)cn1
InChIInChI=1S/C24H28FN5OSi/c1-29-15-19(14-27-29)20-13-18(8-9-22(20)25)21-16-30(17-31-11-12-32(2,3)4)28-24(21)23-7-5-6-10-26-23/h5-10,13-16H,11-12,17H2,1-4H3
InChIKeyLMKPWTXVXDZTLW-UHFFFAOYSA-N
XLogP5.46
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.61
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 69350079) is 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is Cn1cc(-c2cc(-c3cn(COCC[Si](C)(C)C)nc3-c3ccccn3)ccc2F)cn1.
What is the InChIKey of 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is LMKPWTXVXDZTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5OSi/c1-29-15-19(14-27-29)20-13-18(8-9-22(20)25)21-16-30(17-31-11-12-32(2,3)4)28-24(21)23-7-5-6-10-26-23/h5-10,13-16H,11-12,17H2,1-4H3.
What are the key properties of 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 449.61 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 69350079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).