Chem
J-GLOBAL ID：201707004293884933   Nikkaji number：J3.605.586C

2-[5-(3-Chloro-4-isopropoxyphenyl)-1,3,4-thiadiazole-2-yl]-3-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-propanoic acid

2-[5-(3-クロロ-4-イソプロポキシフェニル)-1,3,4-チアジアゾール-2-イル]-3-メチル-4,5,6,7-テトラヒドロ-2H-ピラゾロ[4,3-c]ピリジン-5-プロパン酸
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： C21H24ClN5O3S
Molecular formula furigana： C21-H24-CL-N5-O3-S
Molecular weight： 461.970
InChI： InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,28,29)
InChI key： BGAJNPLDJJBRHK-UHFFFAOYSA-N
SMILES： CC(C)Oc1ccc(cc1Cl)c1nnc(s1)n1nc2CCN(CCC(=O)O)Cc2c1C
Systematic name  (3)：
  • 2-[5-(3-クロロ-4-イソプロポキシフェニル)-1,3,4-チアジアゾール-2-イル]-3-メチル-4,5,6,7-テトラヒドロ-2H-ピラゾロ[4,3-c]ピリジン-5-プロパン酸
  • 3-(2-{5-[3-クロロ-4-(プロパン-2-イルオキシ)フェニル]-1,3,4-チアジアゾール-2-イル}-3-メチル-2H,4H,5H,6H,7H-ピラゾロ[4,3-c]ピリジン-5-イル)プロパン酸
  • 3-(2-{5-[3-chloro-4-(propan-2-yloxy)phenyl]-1,3,4-thiadiazol-2-yl}-3-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl)propanoic acid
Other name (1)：
  • 2-[5-(3-Chloro-4-isopropoxyphenyl)-1,3,4-thiadiazole-2-yl]-3-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-propanoic acid
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