Ethyl 4-Bromo-3-[[Boc(methyl)amino]methyl]-1-methylpyrazole-5-carboxylate - CAS 1454848-21-5
Catalog: |
BB009961 |
Product Name: |
Ethyl 4-Bromo-3-[[Boc(methyl)amino]methyl]-1-methylpyrazole-5-carboxylate |
CAS: |
1454848-21-5 |
Synonyms: |
4-bromo-2-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-pyrazolecarboxylic acid ethyl ester; ethyl 4-bromo-2-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazole-3-carboxylate |
IUPAC Name: | ethyl 4-bromo-2-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazole-3-carboxylate |
Description: | Ethyl 4-Bromo-3-[[Boc(methyl)amino]methyl]-1-methylpyrazole-5-carboxylate (CAS# 1454848-21-5 ) is a useful research chemical. |
Molecular Weight: | 376.25 |
Molecular Formula: | C14H22BrN3O4 |
Canonical SMILES: | CCOC(=O)C1=C(C(=NN1C)CN(C)C(=O)OC(C)(C)C)Br |
InChI: | InChI=1S/C14H22BrN3O4/c1-7-21-12(19)11-10(15)9(16-18(11)6)8-17(5)13(20)22-14(2,3)4/h7-8H2,1-6H3 |
InChI Key: | MKGPAHDNWPLBPB-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2016115178-A1 | Solid forms of a macrocyclic kinase inhibitor | 20130628 |
US-9637500-B2 | Solid forms of a macrocyclic kinase inhibitor | 20130628 |
WO-2014207606-A1 | Solid forms of a macrocyclic kinase inhibitor | 20130628 |
EP-2822953-B1 | Macrocyclic derivatives for the treatment of proliferative diseases | 20120306 |
EP-2822953-B9 | Macrocyclic derivatives for the treatment of proliferative diseases | 20120306 |
Complexity: | 413 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 375.07937 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 375.07937 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 73.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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