5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester - CAS 1171897-39-4
Catalog: |
BB003865 |
Product Name: |
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
1171897-39-4 |
Synonyms: |
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]carbamic acid tert-butyl ester; tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]carbamate |
IUPAC Name: | tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]carbamate |
Description: | 5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester (CAS# 1171897-39-4) is a useful research chemical compound. |
Molecular Weight: | 320.19 |
Molecular Formula: | C16H25N2O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C16H25BN2O4/c1-14(2,3)21-13(20)19-12-8-11(9-18-10-12)17-22-15(4,5)16(6,7)23-17/h8-10H,1-7H3,(H,19,20) |
InChI Key: | BYXPGPHNPNIEPY-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
LogP: | 2.80080 |
Publication Number | Title | Priority Date |
EP-3400221-A1 | Pyridine and pyridimine compounds as pi3k-gamma inhibitors | 20160105 |
TW-201734003-A | Pyridine and pyrimidine compounds as PI3K-γ inhibitors | 20160105 |
US-2017190689-A1 | Pyridine and pyridimine compounds as pi3k-gamma inhibitors | 20160105 |
US-2019359592-A1 | Pyridine and pyridimine compounds as pi3k-gamma inhibitors | 20160105 |
WO-2017120194-A1 | Pyridine and pyridimine compounds as pi3k-gamma inhibitors | 20160105 |
Complexity: | 432 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.1907374 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.1907374 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 69.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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