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1254036-66-2 | MethanesulfonaMide, N-[5-[4-[5-[[(2R,6S)-2,6-diMethyl-4-Morpholinyl]Methyl]-2-oxazolyl]-1H-indazol-6-yl]-2-Methoxy-3-pyridinyl]-, rel-
CAS No: 1254036-66-2 Catalog No: AG000NMU MDL No:
Product Description
Catalog Number:
AG000NMU
Chemical Name:
MethanesulfonaMide, N-[5-[4-[5-[[(2R,6S)-2,6-diMethyl-4-Morpholinyl]Methyl]-2-oxazolyl]-1H-indazol-6-yl]-2-Methoxy-3-pyridinyl]-, rel-
CAS Number:
1254036-66-2
Molecular Formula:
C24H28N6O5S
Molecular Weight:
512.5813
IUPAC Name:
N-[5-[4-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxypyridin-3-yl]methanesulfonamide
InChI:
InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+
InChI Key:
NLUPPCTVKHDVIQ-GASCZTMLSA-N
SMILES:
COc1ncc(cc1NS(=O)(=O)C)c1cc(c2ncc(o2)CN2C[C@H](C)O[C@@H](C2)C)c2c(c1)[nH]nc2
Properties
Complexity:
835
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
512.184g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
512.585g/mol
Monoisotopic Mass:
512.184g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase δ for the Treatment of Respiratory Disease. | Journal of medicinal chemistry 20150924 |
| Evaluation of WO2012032067 and WO2012055846: two selective PI3Kδ inhibitors, which is GSK-2269557? | Expert opinion on therapeutic patents 20120801 |
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