ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate

C18H27BN2O4 — CID 178093156

IUPACethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCC.CCOC(=O)c1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccn12
InChIInChI=1S/C16H21BN2O4.C2H6/c1-6-21-14(20)12-10-18-13-9-11(7-8-19(12)13)17-22-15(2,3)16(4,5)23-17;1-2/h7-10H,6H2,1-5H3;1-2H3
InChIKeyWXSXVTAAMBSGHI-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.84
Rot. Bonds3

About ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate

ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 178093156) has the molecular formula C18H27BN2O4 and a molecular weight of 346.24 g/mol. Its IUPAC name is ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID178093156
Molecular FormulaC18H27BN2O4
Molecular Weight346.24 g/mol
Exact Mass346.21
IUPAC Nameethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCC.CCOC(=O)c1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccn12
InChIInChI=1S/C16H21BN2O4.C2H6/c1-6-21-14(20)12-10-18-13-9-11(7-8-19(12)13)17-22-15(2,3)16(4,5)23-17;1-2/h7-10H,6H2,1-5H3;1-2H3
InChIKeyWXSXVTAAMBSGHI-UHFFFAOYSA-N
XLogP2.84
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate
CID 145001485
ethyl 7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylate;methanol
CID 178051371
ethyl 2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 135393521
ethyl 7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 130229964
ethyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 22032441
ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 178051681
3-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 142510516
ethyl 7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 170316332
ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-4-carboxylate
CID 131748169
7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate
CID 161088998
ethyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-2-carboxylate
CID 123951547

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate (CID 178093156) is ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate is CC.CCOC(=O)c1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccn12.
What is the InChIKey of ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is WXSXVTAAMBSGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BN2O4.C2H6/c1-6-21-14(20)12-10-18-13-9-11(7-8-19(12)13)17-22-15(2,3)16(4,5)23-17;1-2/h7-10H,6H2,1-5H3;1-2H3.
What are the key properties of ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate?
ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 346.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 178093156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).