(E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid

C24H26FNO4 — CID 176565674

IUPAC(E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
SMILESO=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)ncc(C2CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H26FNO4/c25-17-7-5-15(6-8-17)23-20(10-9-18(27)11-19(28)12-22(29)30)24(16-3-4-16)26-13-21(23)14-1-2-14/h5-10,13-14,16,18-19,27-28H,1-4,11-12H2,(H,29,30)/b10-9+/t18-,19-/m1/s1
InChIKeyBCFGZOCDKFGRAD-BGGMYYEUSA-N
MW411.47 g/mol
LogP4.24
Rot. Bonds9

About (E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid

(E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid (PubChem CID 176565674) has the molecular formula C24H26FNO4 and a molecular weight of 411.47 g/mol. Its IUPAC name is (E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid.

Molecular Properties

Compound Name(E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
PubChem CID176565674
Molecular FormulaC24H26FNO4
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name(E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
SMILESO=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)ncc(C2CC2)c1-c1ccc(F)cc1
InChIInChI=1S/C24H26FNO4/c25-17-7-5-15(6-8-17)23-20(10-9-18(27)11-19(28)12-22(29)30)24(16-3-4-16)26-13-21(23)14-1-2-14/h5-10,13-14,16,18-19,27-28H,1-4,11-12H2,(H,29,30)/b10-9+/t18-,19-/m1/s1
InChIKeyBCFGZOCDKFGRAD-BGGMYYEUSA-N
XLogP4.24
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-[2-cyclopropyl-5,6-bis(ethenyl)-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
CID 123272894
(Z,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 100942119
(E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 6366718
calcium;(E,3R,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride
CID 173005876
(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-7-methylquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 70908291
(3R,5S)-7-[2-cycloprop-2-en-1-yl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 91592169
(3R,5S)-7-[2-cyclopropyl-6-[di(propan-2-yloxy)phosphorylmethoxy]-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 90862838
(3R,5S)-7-[2-cyclopropyl-4-(4-hydroxyphenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 136652607
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate;(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 158092858
(E,3R,5S)-7-[2-cyclopropyl-4-(3-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 163202544
ethyl (Z,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
CID 97041538
butan-2-yl (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
CID 10184138

Frequently Asked Questions

What is the IUPAC name of (E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid?
The IUPAC name of (E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid (CID 176565674) is (E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid.
What is the SMILES notation for (E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid?
The canonical SMILES for (E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid is O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)ncc(C2CC2)c1-c1ccc(F)cc1.
What is the InChIKey of (E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid?
The InChIKey is BCFGZOCDKFGRAD-BGGMYYEUSA-N. The full InChI is InChI=1S/C24H26FNO4/c25-17-7-5-15(6-8-17)23-20(10-9-18(27)11-19(28)12-22(29)30)24(16-3-4-16)26-13-21(23)14-1-2-14/h5-10,13-14,16,18-19,27-28H,1-4,11-12H2,(H,29,30)/b10-9+/t18-,19-/m1/s1.
What are the key properties of (E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid?
(E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid has a molecular weight of 411.47 g/mol, XLogP of 4.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,5S)-7-[2,5-dicyclopropyl-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid is sourced from PubChem (CID 176565674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).