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1440951-60-9 | Ethanone, 1-(2-amino-6,7-dihydrothiazolo[5,4-c]pyridin-5(4H)-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)-1H-pyrazol-1-yl]-
CAS No: 1440951-60-9 Catalog No: AG001IWY MDL No:
Product Description
Catalog Number:
AG001IWY
Chemical Name:
Ethanone, 1-(2-amino-6,7-dihydrothiazolo[5,4-c]pyridin-5(4H)-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)-1H-pyrazol-1-yl]-
CAS Number:
1440951-60-9
Molecular Formula:
C20H22FN5OS
Molecular Weight:
399.4850
IUPAC Name:
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone
InChI:
InChI=1S/C20H22FN5OS/c1-3-14-9-17(13-4-5-15(21)12(2)8-13)24-26(14)11-19(27)25-7-6-16-18(10-25)28-20(22)23-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H2,22,23)
InChI Key:
IGEHYTNJVROCPE-UHFFFAOYSA-N
SMILES:
CCc1cc(nn1CC(=O)N1CCc2c(C1)sc(n2)N)c1ccc(c(c1)C)F
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.153g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.488g/mol
Monoisotopic Mass:
399.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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