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1351611-14-7 | N-formyl-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
CAS No: 1351611-14-7 Catalog No: AG01DGRK MDL No:
Product Description
Catalog Number:
AG01DGRK
Chemical Name:
N-formyl-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
CAS Number:
1351611-14-7
Molecular Formula:
C26H25N5O5
Molecular Weight:
487.5072
IUPAC Name:
N-formyl-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
InChI:
InChI=1S/C26H25N5O5/c1-36-20-11-9-19(10-12-20)31-24-21(23(28-31)25(34)27-16-32)13-15-30(26(24)35)18-7-5-17(6-8-18)29-14-3-2-4-22(29)33/h5-12,16H,2-4,13-15H2,1H3,(H,27,32,34)
InChI Key:
RRAFWRVOUFGSEW-UHFFFAOYSA-N
SMILES:
O=CNC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)N1CCCCC1=O)c1ccc(cc1)OC
Properties
Complexity:
839
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.186g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
487.516g/mol
Monoisotopic Mass:
487.186g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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