6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C16H23BN2O4 — CID 162432959

IUPAC6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCOCOc1cc2nn(C)cc2cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H23BN2O4/c1-15(2)16(3,4)23-17(22-15)12-7-11-9-19(5)18-13(11)8-14(12)21-10-20-6/h7-9H,10H2,1-6H3
InChIKeyAZQRABVIIOPYML-UHFFFAOYSA-N
MW318.18 g/mol
LogP1.86
Rot. Bonds4

About 6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 162432959) has the molecular formula C16H23BN2O4 and a molecular weight of 318.18 g/mol. Its IUPAC name is 6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID162432959
Molecular FormulaC16H23BN2O4
Molecular Weight318.18 g/mol
Exact Mass318.18
IUPAC Name6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCOCOc1cc2nn(C)cc2cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H23BN2O4/c1-15(2)16(3,4)23-17(22-15)12-7-11-9-19(5)18-13(11)8-14(12)21-10-20-6/h7-9H,10H2,1-6H3
InChIKeyAZQRABVIIOPYML-UHFFFAOYSA-N
XLogP1.86
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 166586259
1-[3-(methoxymethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole
CID 166173778
5-[3-(methoxymethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpyridine
CID 175852568
6-methoxy-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 156699302
6-methoxy-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 142421221
2-[4-(methoxymethoxy)-3-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66730510
2-[6-(methoxymethoxy)-2-methylindazol-5-yl]-6-(3,3,5,5-tetramethylpiperazin-1-yl)-1,5-naphthyridine
CID 162433735
2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170902239
2-[2-ethyl-6-(methoxymethoxy)-4-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170787716
4-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 155673175
2-[7-(methoxymethoxy)benzo[g][1]benzofuran-9-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171477299
[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-7-yl]methanol
CID 178051117

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 162432959) is 6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is COCOc1cc2nn(C)cc2cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is AZQRABVIIOPYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BN2O4/c1-15(2)16(3,4)23-17(22-15)12-7-11-9-19(5)18-13(11)8-14(12)21-10-20-6/h7-9H,10H2,1-6H3.
What are the key properties of 6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 318.18 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 162432959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).