6-(Methoxycarbonyl)-1H-indole-2-boronic Acid Pinacol Ester - CAS 1256359-21-3
Catalog: |
BB006168 |
Product Name: |
6-(Methoxycarbonyl)-1H-indole-2-boronic Acid Pinacol Ester |
CAS: |
1256359-21-3 |
Synonyms: |
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylic acid methyl ester; methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate |
IUPAC Name: | methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate |
Description: | 6-(Methoxycarbonyl)-1H-indole-2-boronic Acid Pinacol Ester (CAS# 1256359-21-3) is a useful research chemical. |
Molecular Weight: | 301.15 |
Molecular Formula: | C16H20NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N2)C=C(C=C3)C(=O)OC |
InChI: | InChI=1S/C16H20BNO4/c1-15(2)16(3,4)22-17(21-15)13-9-10-6-7-11(14(19)20-5)8-12(10)18-13/h6-9,18H,1-5H3 |
InChI Key: | MOQAIXOQKOUHGG-UHFFFAOYSA-N |
LogP: | 2.25370 |
Publication Number | Title | Priority Date |
WO-2020055672-A1 | Fused heterocyclic compounds as ret kinase inhibitors | 20180910 |
CN-112996794-A | Fused heterocyclic compounds as RET kinase inhibitors | 20180910 |
EP-3849986-A1 | Fused heterocyclic compounds as ret kinase inhibitors | 20180910 |
US-2019106425-A1 | Heterocyclic compounds as ret kinase inhibitors | 20160415 |
AU-2020220079-A1 | Heterocyclic compounds as RET kinase inhibitors | 20160415 |
Complexity: | 437 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.1485383 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.1485383 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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