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1287665-60-4 | 4-Oxazolecarboxamide, N-[3-(aminocarbonyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-, hydrochloride (1:1)
CAS No: 1287665-60-4 Catalog No: AG000YDI MDL No:
Product Description
Catalog Number:
AG000YDI
Chemical Name:
4-Oxazolecarboxamide, N-[3-(aminocarbonyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-, hydrochloride (1:1)
CAS Number:
1287665-60-4
Molecular Formula:
C19H21ClN6O4
Molecular Weight:
432.8608
IUPAC Name:
N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride
InChI:
InChI=1S/C19H20N6O4.ClH/c1-11-8-12(2-5-21-11)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(20)26)13-3-6-28-7-4-13;/h2,5,8-10,13H,3-4,6-7H2,1H3,(H2,20,26)(H,22,27);1H
InChI Key:
FGNHLIIFEDYNFZ-UHFFFAOYSA-N
SMILES:
Cc1nccc(c1)c1occ(n1)C(=O)Nc1cn(nc1C(=O)N)C1CCOCC1.Cl
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.131g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
432.865g/mol
Monoisotopic Mass:
432.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Recent advances in the discovery of small molecule inhibitors of interleukin-1 receptor-associated kinase 4 (IRAK4) as a therapeutic target for inflammation and oncology disorders. | Journal of medicinal chemistry 20150108 |
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