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100578-38-9 | Indeno[1,2-c]pyrazol-4(2H)-one, 3-(4-methoxyphenyl)-2-methyl-
CAS No: 100578-38-9 Catalog No: AG0002DY MDL No:
Product Description
Catalog Number:
AG0002DY
Chemical Name:
Indeno[1,2-c]pyrazol-4(2H)-one, 3-(4-methoxyphenyl)-2-methyl-
CAS Number:
100578-38-9
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
IUPAC Name:
3-(4-methoxyphenyl)-2-methylindeno[1,2-c]pyrazol-4-one
InChI:
InChI=1S/C18H14N2O2/c1-20-17(11-7-9-12(22-2)10-8-11)15-16(19-20)13-5-3-4-6-14(13)18(15)21/h3-10H,1-2H3
InChI Key:
MIMXLMXPRJBBJN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n(C)nc2c1C(=O)c1c2cccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. 2. Probing the indeno ring substituent pattern. | Journal of medicinal chemistry 20021121 |
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