methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate

C27H34FNO5 — CID 174275815

IUPACmethyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
SMILESCOCc1c(C(C)C)nc(C2CC2)c(C=CC(O)CC(O)CC(=O)OC)c1-c1ccc(F)cc1
InChIInChI=1S/C27H34FNO5/c1-16(2)26-23(15-33-3)25(17-7-9-19(28)10-8-17)22(27(29-26)18-5-6-18)12-11-20(30)13-21(31)14-24(32)34-4/h7-12,16,18,20-21,30-31H,5-6,13-15H2,1-4H3
InChIKeyPGSUJHUWSLHZJU-UHFFFAOYSA-N
MW471.57 g/mol
LogP4.72
Rot. Bonds11

About methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate

methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate (PubChem CID 174275815) has the molecular formula C27H34FNO5 and a molecular weight of 471.57 g/mol. Its IUPAC name is methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate.

Molecular Properties

Compound Namemethyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
PubChem CID174275815
Molecular FormulaC27H34FNO5
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Namemethyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
SMILESCOCc1c(C(C)C)nc(C2CC2)c(C=CC(O)CC(O)CC(=O)OC)c1-c1ccc(F)cc1
InChIInChI=1S/C27H34FNO5/c1-16(2)26-23(15-33-3)25(17-7-9-19(28)10-8-17)22(27(29-26)18-5-6-18)12-11-20(30)13-21(31)14-24(32)34-4/h7-12,16,18,20-21,30-31H,5-6,13-15H2,1-4H3
InChIKeyPGSUJHUWSLHZJU-UHFFFAOYSA-N
XLogP4.72
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-8-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-4,6-dihydroxyoct-7-en-2-one
CID 71020993
(E,3R)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N,3,5-trihydroxyhept-6-enamide
CID 149125152
7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-N,3,5-trihydroxyhept-6-enamide
CID 123422616
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
[4-(nitrooxymethyl)phenyl] (E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 11479022
methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 172810966
butan-2-yl (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
CID 10184138
[3-(nitrooxymethyl)phenyl]methyl (E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 11433569
(E,3R,5S)-3,5-dihydroxy-7-[4-(4-hydroxyphenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hept-6-enoic acid
CID 135514466
ethyl (Z,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
CID 97041538
3-methylbutyl (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
CID 141455581
[3-(nitrooxymethyl)phenyl] (E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 11330961

Frequently Asked Questions

What is the IUPAC name of methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
The IUPAC name of methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate (CID 174275815) is methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate.
What is the SMILES notation for methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
The canonical SMILES for methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate is COCc1c(C(C)C)nc(C2CC2)c(C=CC(O)CC(O)CC(=O)OC)c1-c1ccc(F)cc1.
What is the InChIKey of methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
The InChIKey is PGSUJHUWSLHZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FNO5/c1-16(2)26-23(15-33-3)25(17-7-9-19(28)10-8-17)22(27(29-26)18-5-6-18)12-11-20(30)13-21(31)14-24(32)34-4/h7-12,16,18,20-21,30-31H,5-6,13-15H2,1-4H3.
What are the key properties of methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate has a molecular weight of 471.57 g/mol, XLogP of 4.72, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate is sourced from PubChem (CID 174275815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).