5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin

C25H45N3OSiSn — CID 141241205

IUPAC5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cnc2ncn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C13H27.C12H18N3OSi.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-17(2,3)8-7-16-10-15-9-14-12-11(15)5-4-6-13-12;/h4-12H2,1-3H3;5-6,9H,7-8,10H2,1-3H3;
InChIKeyAXRLZTYPTNJCBK-UHFFFAOYSA-N
MW550.45 g/mol
LogP6.80
Rot. Bonds16

About 5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin

5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin (PubChem CID 141241205) has the molecular formula C25H45N3OSiSn and a molecular weight of 550.45 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin
PubChem CID141241205
Molecular FormulaC25H45N3OSiSn
Molecular Weight550.45 g/mol
Exact Mass551.24
IUPAC Name5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cnc2ncn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C13H27.C12H18N3OSi.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-17(2,3)8-7-16-10-15-9-14-12-11(15)5-4-6-13-12;/h4-12H2,1-3H3;5-6,9H,7-8,10H2,1-3H3;
InChIKeyAXRLZTYPTNJCBK-UHFFFAOYSA-N
XLogP6.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.45
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[(5-bromoimidazo[4,5-b]pyrazin-3-yl)methoxy]ethyl-trimethylsilane
CID 131742099
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
2-[[5-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251062
trimethyl-[2-[(5-tributylstannylimidazol-1-yl)methoxy]ethyl]silane
CID 171532445
4-chloro-N-[3-(trifluoromethyl)phenyl]-6-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]-1,3,5-triazin-2-amine
CID 170970814
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
1-(2-trimethylsilylethoxymethyl)benzimidazol-4-amine
CID 156708080
2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 13211466
5-butylnonan-5-yl-[4-(5-butylnonan-5-yl-λ2-stannanyl)phenyl]tin
CID 141310885

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin?
The IUPAC name of 5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin (CID 141241205) is 5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin is CCCCC(CCCC)(CCCC)[Sn]c1cnc2ncn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin?
The InChIKey is AXRLZTYPTNJCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C12H18N3OSi.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-17(2,3)8-7-16-10-15-9-14-12-11(15)5-4-6-13-12;/h4-12H2,1-3H3;5-6,9H,7-8,10H2,1-3H3;.
What are the key properties of 5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin?
5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin has a molecular weight of 550.45 g/mol, XLogP of 6.80, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-6-yl]tin is sourced from PubChem (CID 141241205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).