(R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol

C20H25IN2O2Si — CID 125481141

IUPAC(R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol
SMILESC[Si](C)(C)CCOCn1ncc2cc([C@H](O)c3ccc(I)cc3)ccc21
InChIInChI=1S/C20H25IN2O2Si/c1-26(2,3)11-10-25-14-23-19-9-6-16(12-17(19)13-22-23)20(24)15-4-7-18(21)8-5-15/h4-9,12-13,20,24H,10-11,14H2,1-3H3/t20-/m1/s1
InChIKeyAXBZTKNETUZIJT-HXUWFJFHSA-N
MW480.42 g/mol
LogP5.03
Rot. Bonds7

About (R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol

(R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol (PubChem CID 125481141) has the molecular formula C20H25IN2O2Si and a molecular weight of 480.42 g/mol. Its IUPAC name is (R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol.

Molecular Properties

Compound Name(R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol
PubChem CID125481141
Molecular FormulaC20H25IN2O2Si
Molecular Weight480.42 g/mol
Exact Mass480.07
IUPAC Name(R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol
SMILESC[Si](C)(C)CCOCn1ncc2cc([C@H](O)c3ccc(I)cc3)ccc21
InChIInChI=1S/C20H25IN2O2Si/c1-26(2,3)11-10-25-14-23-19-9-6-16(12-17(19)13-22-23)20(24)15-4-7-18(21)8-5-15/h4-9,12-13,20,24H,10-11,14H2,1-3H3/t20-/m1/s1
InChIKeyAXBZTKNETUZIJT-HXUWFJFHSA-N
XLogP5.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
trimethyl-[2-[[5-[2-(trifluoromethyl)phenyl]indazol-1-yl]methoxy]ethyl]silane
CID 69472978
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713
tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4,4,4-trifluoro-3-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]butyl]sulfanylbutanoate
CID 176890364
trimethyl-[2-(thieno[2,3-d]pyrazol-1-ylmethoxy)ethyl]silane
CID 141109595
2-[[5-(4-fluorophenyl)-7-iodo-6-propan-2-ylpyrrolo[2,3-f]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155640242
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793

Frequently Asked Questions

What is the IUPAC name of (R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol?
The IUPAC name of (R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol (CID 125481141) is (R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol.
What is the SMILES notation for (R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol?
The canonical SMILES for (R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol is C[Si](C)(C)CCOCn1ncc2cc([C@H](O)c3ccc(I)cc3)ccc21.
What is the InChIKey of (R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol?
The InChIKey is AXBZTKNETUZIJT-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25IN2O2Si/c1-26(2,3)11-10-25-14-23-19-9-6-16(12-17(19)13-22-23)20(24)15-4-7-18(21)8-5-15/h4-9,12-13,20,24H,10-11,14H2,1-3H3/t20-/m1/s1.
What are the key properties of (R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol?
(R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol has a molecular weight of 480.42 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-iodophenyl)-[1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol is sourced from PubChem (CID 125481141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).