2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C23H24ClFN4OSi — CID 86659521

IUPAC2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2nccc3nc(Cl)c(-c4ccccc4F)cc23)cn1
InChIInChI=1S/C23H24ClFN4OSi/c1-31(2,3)11-10-30-15-29-14-16(13-27-29)22-19-12-18(17-6-4-5-7-20(17)25)23(24)28-21(19)8-9-26-22/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeyAFSOPNLITWKODV-UHFFFAOYSA-N
MW455.01 g/mol
LogP6.27
Rot. Bonds7

About 2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 86659521) has the molecular formula C23H24ClFN4OSi and a molecular weight of 455.01 g/mol. Its IUPAC name is 2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID86659521
Molecular FormulaC23H24ClFN4OSi
Molecular Weight455.01 g/mol
Exact Mass454.14
IUPAC Name2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2nccc3nc(Cl)c(-c4ccccc4F)cc23)cn1
InChIInChI=1S/C23H24ClFN4OSi/c1-31(2,3)11-10-30-15-29-14-16(13-27-29)22-19-12-18(17-6-4-5-7-20(17)25)23(24)28-21(19)8-9-26-22/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeyAFSOPNLITWKODV-UHFFFAOYSA-N
XLogP6.27
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.01
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 86659521) is 2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2nccc3nc(Cl)c(-c4ccccc4F)cc23)cn1.
What is the InChIKey of 2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AFSOPNLITWKODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4OSi/c1-31(2,3)11-10-30-15-29-14-16(13-27-29)22-19-12-18(17-6-4-5-7-20(17)25)23(24)28-21(19)8-9-26-22/h4-9,12-14H,10-11,15H2,1-3H3.
What are the key properties of 2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 455.01 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-chloro-3-(2-fluorophenyl)-1,6-naphthyridin-5-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86659521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).