2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C19H24F2N4OSi — CID 142420452

IUPAC2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ncc(-c2cc(C(F)F)c3c(cnn3COCC[Si](C)(C)C)c2)cn1
InChIInChI=1S/C19H24F2N4OSi/c1-13-22-9-16(10-23-13)14-7-15-11-24-25(12-26-5-6-27(2,3)4)18(15)17(8-14)19(20)21/h7-11,19H,5-6,12H2,1-4H3
InChIKeyVHEKRNPKKNUFMA-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.05
Rot. Bonds7

About 2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 142420452) has the molecular formula C19H24F2N4OSi and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID142420452
Molecular FormulaC19H24F2N4OSi
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ncc(-c2cc(C(F)F)c3c(cnn3COCC[Si](C)(C)C)c2)cn1
InChIInChI=1S/C19H24F2N4OSi/c1-13-22-9-16(10-23-13)14-7-15-11-24-25(12-26-5-6-27(2,3)4)18(15)17(8-14)19(20)21/h7-11,19H,5-6,12H2,1-4H3
InChIKeyVHEKRNPKKNUFMA-UHFFFAOYSA-N
XLogP5.05
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.05
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-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 142420452) is 2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1ncc(-c2cc(C(F)F)c3c(cnn3COCC[Si](C)(C)C)c2)cn1.
What is the InChIKey of 2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VHEKRNPKKNUFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4OSi/c1-13-22-9-16(10-23-13)14-7-15-11-24-25(12-26-5-6-27(2,3)4)18(15)17(8-14)19(20)21/h7-11,19H,5-6,12H2,1-4H3.
What are the key properties of 2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 390.51 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(difluoromethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 142420452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).