1-tert-Butyl 3-methyl 4-formyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate - CAS 1228666-48-5
Catalog: |
BB005576 |
Product Name: |
1-tert-Butyl 3-methyl 4-formyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate |
CAS: |
1228666-48-5 |
Synonyms: |
1-O-tert-butyl 3-O-methyl 4-formylpyrrolo[2,3-b]pyridine-1,3-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 3-O-methyl 4-formylpyrrolo[2,3-b]pyridine-1,3-dicarboxylate |
Description: | 1-tert-Butyl 3-methyl 4-formyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate (CAS# 1228666-48-5) is used as a reactant in the preparation of dihydropyrrolonaphthyridinones as JAK kinase inhibitors. |
Molecular Weight: | 304.30 |
Molecular Formula: | C15H16N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C2=C(C=CN=C21)C=O)C(=O)OC |
InChI: | InChI=1S/C15H16N2O5/c1-15(2,3)22-14(20)17-7-10(13(19)21-4)11-9(8-18)5-6-16-12(11)17/h5-8H,1-4H3 |
InChI Key: | GVFBOMUFVCYKOX-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD16628245 |
LogP: | 2.41860 |
Publication Number | Title | Priority Date |
CA-2764885-A1 | Dihydropyrrolonaphtyridinone compounds as inhibitors of jak | 20090608 |
EP-2440558-B1 | Dihydropyrrolonaphtyridinone compounds as inhibitors of jak | 20090608 |
ES-2540964-T3 | Dihydropyrrolonaphthyridinone compounds as JAK inhibitors | 20090608 |
JP-2012529437-A | Dihydropyrrolonaphthylidinone compounds as inhibitors of JAK | 20090608 |
JP-5719840-B2 | Dihydropyrrolonaphthylidinone compounds as inhibitors of JAK | 20090608 |
Complexity: | 459 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.10592162 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.10592162 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 87.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Pyridines
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