1-(1-Boc-4-piperidyl)pyrazole-4-boronic Acid Pinacol Ester - CAS 877399-74-1
Catalog: |
BB038619 |
Product Name: |
1-(1-Boc-4-piperidyl)pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
877399-74-1 |
Synonyms: |
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate |
Description: | 1-(1-Boc-4-piperidyl)pyrazole-4-boronic Acid Pinacol Ester (CAS# 877399-74-1) is a useful research chemical. |
Molecular Weight: | 377.29 |
Molecular Formula: | C19H32N3O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCN(CC3)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C19H32BN3O4/c1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20/h12-13,15H,8-11H2,1-7H3 |
InChI Key: | QSQWENQPOSRWLP-UHFFFAOYSA-N |
Boiling Point: | 492.803 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
MDL: | MFCD11112131 |
LogP: | 2.69220 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336747-A | Novel HPK1 inhibitor and preparation method and application thereof | 20200303 |
WO-2021175271-A1 | Novel hpk1 inhibitor, and preparation method therefor and application thereof | 20200303 |
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WO-2021159993-A1 | Inhibitors of interleukin-1 receptor associated kinase (irak) /fms-like receptor tyrosine kinase (flt3), pharmaceutical products thereof, and methods thereof | 20200214 |
US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
Complexity: | 540 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 377.2485867 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 377.2485867 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 65.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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