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1312691-33-0 | 3H-Pyrrolo[3,4-c]pyridin-3-one, 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,2-dihydro-4-(1-methyl-1H-pyrazol-4-yl)-
CAS No: 1312691-33-0 Catalog No: AG000VTD MDL No:
Product Description
Catalog Number:
AG000VTD
Chemical Name:
3H-Pyrrolo[3,4-c]pyridin-3-one, 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-1,2-dihydro-4-(1-methyl-1H-pyrazol-4-yl)-
CAS Number:
1312691-33-0
Molecular Formula:
C17H21FN6O
Molecular Weight:
344.3866
IUPAC Name:
6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
InChI:
InChI=1S/C17H21FN6O/c1-24-8-9(6-21-24)15-13-10(7-20-17(13)25)14(18)16(23-15)22-12-5-3-2-4-11(12)19/h6,8,11-12H,2-5,7,19H2,1H3,(H,20,25)(H,22,23)/t11-,12+/m0/s1
InChI Key:
MJHOMTRKVMKCNE-NWDGAFQWSA-N
SMILES:
N[C@H]1CCCC[C@H]1Nc1nc(c2cnn(c2)C)c2c(c1F)CNC2=O
UNII:
8QR88H79VX
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
344.176g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
344.394g/mol
Monoisotopic Mass:
344.176g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Inhibition of BCR signaling using the Syk inhibitor TAK-659 prevents stroma-mediated signaling in chronic lymphocytic leukemia cells. | Oncotarget 20170103 |
| Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK). | Bioorganic & medicinal chemistry letters 20161215 |
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