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Home> Hot Product Listed P   > Piperazine,1-acetyl-4-[4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-pyrimidinyl]-
1227594-72-0 structure

Piperazine,1-acetyl-4-[4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-pyrimidinyl]-

Iupac Name:2-methoxy-5-methylpyridine-3-carboxylic acid
CAS No.:1227594-72-0
Molecular Weight:167.164
Molecular Formula:C20H17CL3N2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C8H9NO3/c1-5-3-6(8(10)11)7(12-2)9-4-5/h3-4H,1-2H3,(H,10,11)
InChkey
SXAHXCKRWVFPKB-UHFFFAOYSA-N
Canonical Smiles
CC1=CN=C(C(=C1)C(=O)O)OC
Safety and Handling
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:167.164g/mol
  • Molecular Formula:C20H17CL3N2
  • Compound Is Canonicalized:True
  • Exact Mass:167.058
  • Monoisotopic Mass:167.058
  • Complexity:172
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:59.4A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAACAAADADBmgY+jJIIFgCo AjD3TACCiCA1ICAA2CEsTNgMJ/7EtZuEcehn4BHI+caYEQIMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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