(E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid

C24H28FNO4 — CID 14652801

IUPAC(E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
SMILESC=Cc1c(C)nc(C(C)C)c(/C=C/C(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C24H28FNO4/c1-5-20-15(4)26-24(14(2)3)21(23(20)16-6-8-17(25)9-7-16)11-10-18(27)12-19(28)13-22(29)30/h5-11,14,18-19,27-28H,1,12-13H2,2-4H3,(H,29,30)/b11-10+
InChIKeyFLUFUARQFOIEGG-ZHACJKMWSA-N
MW413.49 g/mol
LogP4.56
Rot. Bonds9

About (E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid

(E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid (PubChem CID 14652801) has the molecular formula C24H28FNO4 and a molecular weight of 413.49 g/mol. Its IUPAC name is (E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid.

Molecular Properties

Compound Name(E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
PubChem CID14652801
Molecular FormulaC24H28FNO4
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name(E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
SMILESC=Cc1c(C)nc(C(C)C)c(/C=C/C(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C24H28FNO4/c1-5-20-15(4)26-24(14(2)3)21(23(20)16-6-8-17(25)9-7-16)11-10-18(27)12-19(28)13-22(29)30/h5-11,14,18-19,27-28H,1,12-13H2,2-4H3,(H,29,30)/b11-10+
InChIKeyFLUFUARQFOIEGG-ZHACJKMWSA-N
XLogP4.56
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(E,3S,5R)-7-[4-(4-fluorophenyl)-2-propan-2-ylquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 14229349
(E,3R,5S)-7-[4-(4-fluorophenyl)-9-methylidene-2-propan-2-yl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid;prop-1-ene
CID 142191343
(E,3R,5S)-7-[1-tert-butyl-4-(4-fluorophenyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl]-3,5-dihydroxyhept-6-enoic acid
CID 10391449
sodium;(3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid;hydride
CID 172995980
(E,3R,5S)-7-[2-butan-2-yl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid;ethane
CID 143655711
(3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfanyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
CID 91422552
(3R,5S)-7-[4-(4-fluorophenyl)-6-(2-methylphenyl)-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
CID 57112188
7-[2-cyclopropyl-5,6-bis(ethenyl)-4-(4-fluorophenyl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
CID 123272894
methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 172810966
(3R,5S)-7-[5-(4-fluorophenyl)-1-methylsulfonyl-7-propan-2-yl-2,4-dihydropyrido[2,3-d][1,3]oxazin-6-yl]-3,5-dihydroxyhept-6-enoic acid
CID 69310225
(3R,5S)-7-[11-(4-fluorophenyl)-5-methyl-13-propan-2-yl-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-12-yl]-3,5-dihydroxyhept-6-enoic acid
CID 90961144
sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 45038876

Frequently Asked Questions

What is the IUPAC name of (E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid?
The IUPAC name of (E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid (CID 14652801) is (E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid.
What is the SMILES notation for (E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid?
The canonical SMILES for (E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid is C=Cc1c(C)nc(C(C)C)c(/C=C/C(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1.
What is the InChIKey of (E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid?
The InChIKey is FLUFUARQFOIEGG-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H28FNO4/c1-5-20-15(4)26-24(14(2)3)21(23(20)16-6-8-17(25)9-7-16)11-10-18(27)12-19(28)13-22(29)30/h5-11,14,18-19,27-28H,1,12-13H2,2-4H3,(H,29,30)/b11-10+.
What are the key properties of (E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid?
(E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid has a molecular weight of 413.49 g/mol, XLogP of 4.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid is sourced from PubChem (CID 14652801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).