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

C19H32BN3O4Si — CID 163251062

IUPAC2-[[5-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1nc2ncn(COCC[Si](C)(C)C)c2cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H32BN3O4Si/c1-18(2)19(3,4)27-20(26-18)14-11-15-16(22-17(14)24-5)21-12-23(15)13-25-9-10-28(6,7)8/h11-12H,9-10,13H2,1-8H3
InChIKeyFUIYTQKUSMKDMX-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.05
Rot. Bonds7

About 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

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 (PubChem CID 163251062) has the molecular formula C19H32BN3O4Si and a molecular weight of 405.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[5-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID163251062
Molecular FormulaC19H32BN3O4Si
Molecular Weight405.38 g/mol
Exact Mass405.23
IUPAC Name2-[[5-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1nc2ncn(COCC[Si](C)(C)C)c2cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H32BN3O4Si/c1-18(2)19(3,4)27-20(26-18)14-11-15-16(22-17(14)24-5)21-12-23(15)13-25-9-10-28(6,7)8/h11-12H,9-10,13H2,1-8H3
InChIKeyFUIYTQKUSMKDMX-UHFFFAOYSA-N
XLogP3.05
TPSA67.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl]silane
CID 169306021
7-methoxy-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 163369223
2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163251863
trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane
CID 156678796
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90419544
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
CID 175411228
2-[(5-bromoimidazo[4,5-b]pyrazin-3-yl)methoxy]ethyl-trimethylsilane
CID 131742099
2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163233343

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nc2ncn(COCC[Si](C)(C)C)c2cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 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?
The InChIKey is FUIYTQKUSMKDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BN3O4Si/c1-18(2)19(3,4)27-20(26-18)14-11-15-16(22-17(14)24-5)21-12-23(15)13-25-9-10-28(6,7)8/h11-12H,9-10,13H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 405.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163251062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).