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Home > Indoles and Oxindole > 1260612-13-2
1260612-13-2 | 4(3H)-Pyrimidinone, 2-[2-[(2S)-2,3-dihydro-2-methyl-1H-indol-1-yl]-2-oxoethyl]-6-(4-morpholinyl)-
CAS No: 1260612-13-2 Catalog No: AG000QW8 MDL No:
Product Description
Catalog Number:
AG000QW8
Chemical Name:
4(3H)-Pyrimidinone, 2-[2-[(2S)-2,3-dihydro-2-methyl-1H-indol-1-yl]-2-oxoethyl]-6-(4-morpholinyl)-
CAS Number:
1260612-13-2
Molecular Formula:
C19H22N4O3
Molecular Weight:
354.4030
IUPAC Name:
2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-morpholin-4-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)/t13-/m0/s1
InChI Key:
UAXHPOBBKRWJGA-ZDUSSCGKSA-N
SMILES:
C[C@H]1Cc2c(N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1)cccc2
UNII:
33639WNC7Q
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
354.169g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.41g/mol
Monoisotopic Mass:
354.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Discovery and optimization of pyrimidone indoline amide PI3Kβ inhibitors for the treatment of phosphatase and tensin homologue (PTEN)-deficient cancers. | Journal of medicinal chemistry 20140213 |
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