Home Carboxys 6-(5-Chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl piperazine-1-carboxylate hydrochloride

6-(5-Chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl piperazine-1-carboxylate hydrochloride

CAS No.:
1216659-29-8
Catalog Number:
AG00HGBW
Molecular Formula:
C16H16Cl2N6O3
Molecular Weight:
411.2426
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Product Description
Catalog Number:
AG00HGBW
Chemical Name:
6-(5-Chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl piperazine-1-carboxylate hydrochloride
CAS Number:
1216659-29-8
Molecular Formula:
C16H16Cl2N6O3
Molecular Weight:
411.2426
MDL Number:
MFCD09842606
IUPAC Name:
[6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C16H15ClN6O3.ClH/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22;/h1-4,9,15,18H,5-8H2;1H
InChI Key:
ICVDCBVWUQHQPB-UHFFFAOYSA-N
SMILES:
Clc1ccc(nc1)N1C(OC(=O)N2CCNCC2)c2c(C1=O)nccn2.Cl
Properties
Complexity:
546  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.066g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
411.243g/mol
Monoisotopic Mass:
410.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties