2-Oxoindoline-6-boronic Acid Pinacol Ester - CAS 893441-85-5
Catalog: |
BB039432 |
Product Name: |
2-Oxoindoline-6-boronic Acid Pinacol Ester |
CAS: |
893441-85-5 |
Synonyms: |
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one |
IUPAC Name: | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one |
Description: | 2-Oxoindoline-6-boronic Acid Pinacol Ester (CAS# 893441-85-5) is useful for preparation of imidazopyridazines as therapeutic kinase inhibitors. |
Molecular Weight: | 259.11 |
Molecular Formula: | C14H18NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CC(=O)N3)C=C2 |
InChI: | InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-6-5-9-7-12(17)16-11(9)8-10/h5-6,8H,7H2,1-4H3,(H,16,17) |
InChI Key: | NXJYMGPXHVQNOT-UHFFFAOYSA-N |
MDL: | MFCD11855965 |
LogP: | 1.61840 |
Publication Number | Title | Priority Date |
JP-2017522324-A | Novel naphthyridine and isoquinoline and their use as CDK8 / 19 inhibitors | 20140717 |
US-2016016951-A1 | Novel naphthyridines and isoquinolines and their use as cdk8/19 inhibitors | 20140717 |
KR-101926245-B1 | Tank-binding kinase inhibitor compounds | 20140603 |
KR-20170005876-A | Tank-binding kinase inhibitor compounds | 20140603 |
KR-20180131640-A | Tank-binding kinase inhibitor compounds | 20140603 |
Complexity: | 380 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.1379736 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.1379736 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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