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1228013-30-6 | Pyrazino[2,3-b]pyrazin-2(1H)-one, 3,4-dihydro-7-[6-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-(trans-4-methoxycyclohexyl)-
CAS No: 1228013-30-6 Catalog No: AG000JHY MDL No:
Product Description
Catalog Number:
AG000JHY
Chemical Name:
Pyrazino[2,3-b]pyrazin-2(1H)-one, 3,4-dihydro-7-[6-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-(trans-4-methoxycyclohexyl)-
CAS Number:
1228013-30-6
Molecular Formula:
C21H27N5O3
Molecular Weight:
397.4708
IUPAC Name:
3-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
InChI:
InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)
InChI Key:
UFKLYTOEMRFKAD-UHFFFAOYSA-N
SMILES:
CO[C@@H]1CC[C@H](CC1)N1C(=O)CNc2c1nc(cn2)c1ccc(nc1)C(O)(C)C
UNII:
I8RA3543SY
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.211g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
397.479g/mol
Monoisotopic Mass:
397.211g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Discovery of mammalian target of rapamycin (mTOR) kinase inhibitor CC-223. | Journal of medicinal chemistry 20150709 |
| Discovery and SAR exploration of a novel series of imidazo[4,5-b]pyrazin-2-ones as potent and selective mTOR kinase inhibitors. | Bioorganic & medicinal chemistry letters 20111115 |
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