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Molecule record

(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid

C25H24FNO4

421.47 g/mol

Loading structure

Molecular properties

Formula
C25H24FNO4
Molar mass
421.47 g·mol−1
Exact mass
421.1689 Da
14
PubChem CID
5282452

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene
Aromatic ring
Aryl halide
Carboxylic acid

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • ()-(3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoic acid
  • (3R,5S,6E)-7-(2-Cyclopropyl-4-(p-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoic acid
  • (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid
  • (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
  • 147511-69-1
  • 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (S-(R*,S*-(E)))-
  • 6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, (3R,5S,6E)-
  • C10AA08
Show all 24 synonyms
  • CHEBI:32020
  • DTXCID2028357
  • DTXSID1048384
  • Itavastatin
  • K-924 component Pivastatin
  • M5681Q5F9P
  • NIKITA
  • NK 104
  • NSC-760423
  • P-872441
  • Pitavastatin
  • Pitavastatin [INN]
  • Pitavastatina
  • RefChem:56351
  • pitavastatine
  • pitavastatinum

Structure identifiers

Canonical SMILES
O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
Isomeric SMILES
C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
InChIKey
VGYFMXBACGZSIL-MCBHFWOFSA-N
PubChem CID
5282452

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record