Chem
J-GLOBAL ID:200907092307556148
Nikkaji number:J1.606.087I
(3R)-1-Phenyl-3β-[2-(pyrrolidine-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]pyrazolidine-4β,5β-dicarboxylic acid dimethyl ester
(3R)-1-フェニル-3β-[2-(ピロリジン-1-イル)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]ピラゾリジン-4β,5β-ジカルボン酸ジメチル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C25 H27 N5 O5
Molecular formula furigana:
C25-H27-N5-O5
Molecular weight:
477.521
InChI:
InChI=1S/C25H27N5O5/c1-34-24(32)18-20(27-30(21(18)25(33)35-2)16-10-4-3-5-11-16)19-22(28-13-8-9-14-28)26-17-12-6-7-15-29(17)23(19)31/h3-7,10-12,15,18,20-21,27H,8-9,13-14H2,1-2H3/t18-,20-,21+/m1/s1
InChI key:
QWIVKUQOCJDYTQ-NRSPTQNISA-N
SMILES:
COC(=O)[C@@H]1[C@@H](NN([C@@H]1C(=O)OC)c1ccccc1)c1c(nc2ccccn2c1=O)N1CCCC1
Systematic name (4):
(3R)-1-フェニル-3β-[2-(ピロリジン-1-イル)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]ピラゾリジン-4β,5β-ジカルボン酸ジメチル
(3S,4R,5R)-2-フェニル-5-[2-(1-ピロリジニル)-4-オキソ-4H-ピリド[1,2-a]ピリミジン-3-イル]テトラヒドロ-1H-ピラゾール-3,4-ジカルボン酸ジメチル
3,4-ジメチル (3S,4R,5R)-5-[4-オキソ-2-(ピロリジン-1-イル)-4H-ピリド[1,2-a]ピリミジン-3-イル]-2-フェニルピラゾリジン-3,4-ジカルボキシラート
3,4-dimethyl (3S,4R,5R)-5-[4-oxo-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-phenylpyrazolidine-3,4-dicarboxylate
Other name (2):
(3R)-1-Phenyl-3β-[2-(pyrrolidine-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]pyrazolidine-4β,5β-dicarboxylic acid dimethyl ester
(3S,4R,5R)-2-Phenyl-5-[2-(1-pyrrolidinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-yl]tetrahydro-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester
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