2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane

C17H33ClN2OSiSn — CID 159759236

IUPAC2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane
SMILESC.C[Si](C)(C)CCOCn1nc([Sn](C)(C)C)c2cc(Cl)ccc21.[H][2H]
InChIInChI=1S/C13H18ClN2OSi.CH4.3CH3.Sn.H2/c1-18(2,3)7-6-17-10-16-13-5-4-12(14)8-11(13)9-15-16;;;;;;/h4-5,8H,6-7,10H2,1-3H3;1H4;3*1H3;;1H/i;;;;;;1+1
InChIKeyNEQWIEYFZUYSSK-KTTJZPQESA-N
MW464.72 g/mol
LogP5.43
Rot. Bonds6

About 2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane

2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane (PubChem CID 159759236) has the molecular formula C17H33ClN2OSiSn and a molecular weight of 464.72 g/mol. Its IUPAC name is 2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane.

Molecular Properties

Compound Name2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane
PubChem CID159759236
Molecular FormulaC17H33ClN2OSiSn
Molecular Weight464.72 g/mol
Exact Mass465.11
IUPAC Name2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane
SMILESC.C[Si](C)(C)CCOCn1nc([Sn](C)(C)C)c2cc(Cl)ccc21.[H][2H]
InChIInChI=1S/C13H18ClN2OSi.CH4.3CH3.Sn.H2/c1-18(2,3)7-6-17-10-16-13-5-4-12(14)8-11(13)9-15-16;;;;;;/h4-5,8H,6-7,10H2,1-3H3;1H4;3*1H3;;1H/i;;;;;;1+1
InChIKeyNEQWIEYFZUYSSK-KTTJZPQESA-N
XLogP5.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.72
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
CID 58540680
5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793
7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
CID 21135820
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
5-(2-amino-5-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 171757792
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane
CID 71497150
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
6-chloro-N-[(4-chlorophenyl)methyl]-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carboxamide
CID 69217418
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
2-[[3-(2-bromo-5-fluoro-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171839827
bis(4-chlorophenyl)-[3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]methanol
CID 140775413

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane?
The IUPAC name of 2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane (CID 159759236) is 2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane.
What is the SMILES notation for 2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane?
The canonical SMILES for 2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane is C.C[Si](C)(C)CCOCn1nc([Sn](C)(C)C)c2cc(Cl)ccc21.[H][2H].
What is the InChIKey of 2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane?
The InChIKey is NEQWIEYFZUYSSK-KTTJZPQESA-N. The full InChI is InChI=1S/C13H18ClN2OSi.CH4.3CH3.Sn.H2/c1-18(2,3)7-6-17-10-16-13-5-4-12(14)8-11(13)9-15-16;;;;;;/h4-5,8H,6-7,10H2,1-3H3;1H4;3*1H3;;1H/i;;;;;;1+1.
What are the key properties of 2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane?
2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane has a molecular weight of 464.72 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-trimethylstannylindazol-1-yl)methoxy]ethyl-trimethylsilane;deuterium monohydride;methane is sourced from PubChem (CID 159759236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).