methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate

C28H40FNO5Si — CID 172730211

IUPACmethyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
SMILESCOC(=O)CC(O)CC(O)C=Cc1c(C)nc(C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1
InChIInChI=1S/C28H40FNO5Si/c1-18-24(14-13-22(31)15-23(32)16-26(33)34-6)27(20-9-11-21(29)12-10-20)25(19(2)30-18)17-35-36(7,8)28(3,4)5/h9-14,22-23,31-32H,15-17H2,1-8H3
InChIKeyHRQGKSJHHSNSFG-UHFFFAOYSA-N
MW517.71 g/mol
LogP5.71
Rot. Bonds10

About methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate

methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate (PubChem CID 172730211) has the molecular formula C28H40FNO5Si and a molecular weight of 517.71 g/mol. Its IUPAC name is methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate.

Molecular Properties

Compound Namemethyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
PubChem CID172730211
Molecular FormulaC28H40FNO5Si
Molecular Weight517.71 g/mol
Exact Mass517.27
IUPAC Namemethyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
SMILESCOC(=O)CC(O)CC(O)C=Cc1c(C)nc(C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1
InChIInChI=1S/C28H40FNO5Si/c1-18-24(14-13-22(31)15-23(32)16-26(33)34-6)27(20-9-11-21(29)12-10-20)25(19(2)30-18)17-35-36(7,8)28(3,4)5/h9-14,22-23,31-32H,15-17H2,1-8H3
InChIKeyHRQGKSJHHSNSFG-UHFFFAOYSA-N
XLogP5.71
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.71
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 174275815
methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 172810966
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)-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
tert-butyl-[[4-(4-fluorophenyl)-2-methyl-5-pent-1-enyl-6-propan-2-yl-3-pyridinyl]methoxy]-dimethylsilane
CID 67483459
(E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
CID 14652801
methyl (E)-7-[5-(4-fluorophenyl)-1-methyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidin-6-yl]-3,5-dihydroxyhept-6-enoate
CID 67917002
ethyl (Z,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
CID 97041538
tert-butyl 7-[2-cycloprop-2-en-1-yl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
CID 123468097
(E)-7-[2-tert-butyl-4-(4-fluorophenyl)-5-phenylfuran-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 14500325

Frequently Asked Questions

What is the IUPAC name of methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
The IUPAC name of methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate (CID 172730211) is methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate.
What is the SMILES notation for methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
The canonical SMILES for methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate is COC(=O)CC(O)CC(O)C=Cc1c(C)nc(C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1.
What is the InChIKey of methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
The InChIKey is HRQGKSJHHSNSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40FNO5Si/c1-18-24(14-13-22(31)15-23(32)16-26(33)34-6)27(20-9-11-21(29)12-10-20)25(19(2)30-18)17-35-36(7,8)28(3,4)5/h9-14,22-23,31-32H,15-17H2,1-8H3.
What are the key properties of methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate has a molecular weight of 517.71 g/mol, XLogP of 5.71, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-dimethyl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate is sourced from PubChem (CID 172730211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).