1-Methyl-1H-pyrrolo[2,3-b]pyridine-5-boronic Acid Pinacol Ester - CAS 1220696-34-3
Catalog: |
BB005332 |
Product Name: |
1-Methyl-1H-pyrrolo[2,3-b]pyridine-5-boronic Acid Pinacol Ester |
CAS: |
1220696-34-3 |
Synonyms: |
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine; 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine |
IUPAC Name: | 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine |
Description: | 1-Methyl-1H-pyrrolo[2,3-b]pyridine-5-boronic Acid Pinacol Ester (CAS# 1220696-34-3) is a useful research chemical. |
Molecular Weight: | 258.12 |
Molecular Formula: | C14H19N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N(C=C3)C |
InChI: | InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-8-10-6-7-17(5)12(10)16-9-11/h6-9H,1-5H3 |
InChI Key: | HQQDRRKOLDTGHY-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD16995982 |
LogP: | 1.87250 |
Publication Number | Title | Priority Date |
WO-2019198692-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
BR-112020020708-A2 | CYCLIC UREA FUSED DERIVATIVES AS CRHR2 ANTAGONIST | 20180409 |
EP-3774739-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
US-2021078975-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
JP-2021521142-A | Condensed cyclic urea derivative as a CRHR2 antagonist | 20180409 |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.153958 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.153958 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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