2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine

1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide

Also Known As: Regadenoson Impurity 2|Regadenoson Impurity N9|J1.806.400F|2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine|1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide|(1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N,N-dimethylcarboxamide|(1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2yl}pyrazol-4-yl)-N,N-dimethylcarboxamide|1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-N,N-dimethyl-1H-pyrazole-4-carboxamide|1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid dimethylamide|1-{6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-2-yl}-N,N-dimethyl-1H-pyrazole-4-carboxamide

Molecular Formula	C16H20N8O5
Molecular Weight	404.15567 g/mol
LogP	-2.0925
Topological Polar Surface Area	177.67 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	404.15567
Monoisotopic Mass	404.15567
Heavy Atoms	29
Complexity	1062.9434

Chemical Identifiers

CAS Number	313348-31-1
SMILES	CN(C)C(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N