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Home > Indoles and Oxindole > 1243657-78-4
1243657-78-4 | (3E)-3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
CAS No: 1243657-78-4 Catalog No: AG019EW3 MDL No:MFCD22631496
Product Description
Catalog Number:
AG019EW3
Chemical Name:
(3E)-3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
CAS Number:
1243657-78-4
Molecular Formula:
C17H13N3O
Molecular Weight:
275.3046
MDL Number:
MFCD22631496
IUPAC Name:
3-[(1-methylindol-3-yl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
InChI:
InChI=1S/C17H13N3O/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16/h2-10H,1H3,(H,19,21)
InChI Key:
NXNQLECPAXXYTR-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(/C/1=C\c1cn(c3c1cccc3)C)nccc2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.311g/mol
Monoisotopic Mass:
275.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Identification of potent Yes1 kinase inhibitors using a library screening approach. | Bioorganic & medicinal chemistry letters 20130801 |
| Discovery and in vitro evaluation of potent TrkA kinase inhibitors: oxindole and aza-oxindoles. | Bioorganic & medicinal chemistry letters 20040223 |
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