Home Carboxys Ethyl 1-(4-methoxyphenyl)-7a-morpholino-6-(4-nitrophenyl)-7-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

Ethyl 1-(4-methoxyphenyl)-7a-morpholino-6-(4-nitrophenyl)-7-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

CAS No.:
1620386-62-0
Catalog Number:
AG01D8Y5
Molecular Formula:
C26H29N5O7
Molecular Weight:
523.5378
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Product Description
Catalog Number:
AG01D8Y5
Chemical Name:
Ethyl 1-(4-methoxyphenyl)-7a-morpholino-6-(4-nitrophenyl)-7-oxo-3a,4,5,6,7,7a-hexahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
CAS Number:
1620386-62-0
Molecular Formula:
C26H29N5O7
Molecular Weight:
523.5378
MDL Number:
MFCD28386672
IUPAC Name:
ethyl 1-(4-methoxyphenyl)-7a-morpholin-4-yl-6-(4-nitrophenyl)-7-oxo-4,5-dihydro-3aH-pyrazolo[3,4-c]pyridine-3-carboxylate
InChI:
InChI=1S/C26H29N5O7/c1-3-38-24(32)23-22-12-13-29(18-4-6-20(7-5-18)31(34)35)25(33)26(22,28-14-16-37-17-15-28)30(27-23)19-8-10-21(36-2)11-9-19/h4-11,22H,3,12-17H2,1-2H3
InChI Key:
YPYYMUHZHNLPMK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=NN(C2(C1CCN(C2=O)c1ccc(cc1)[N+](=O)[O-])N1CCOCC1)c1ccc(cc1)OC
Properties
Complexity:
919  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.207g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
523.546g/mol
Monoisotopic Mass:
523.207g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties