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

C31H36FNO4 — CID 172810966

IUPACmethyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
SMILESCOC(=O)CC(O)CC(O)C=Cc1c(C(C)C)nc(C(C)C)c(-c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C31H36FNO4/c1-19(2)30-26(16-15-24(34)17-25(35)18-27(36)37-5)28(22-11-13-23(32)14-12-22)29(31(33-30)20(3)4)21-9-7-6-8-10-21/h6-16,19-20,24-25,34-35H,17-18H2,1-5H3
InChIKeySDZZVYGDZKKQSR-UHFFFAOYSA-N
MW505.63 g/mol
LogP6.49
Rot. Bonds10

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

methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate (PubChem CID 172810966) has the molecular formula C31H36FNO4 and a molecular weight of 505.63 g/mol. Its IUPAC name is methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate.

Molecular Properties

Compound Namemethyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
PubChem CID172810966
Molecular FormulaC31H36FNO4
Molecular Weight505.63 g/mol
Exact Mass505.26
IUPAC Namemethyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
SMILESCOC(=O)CC(O)CC(O)C=Cc1c(C(C)C)nc(C(C)C)c(-c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C31H36FNO4/c1-19(2)30-26(16-15-24(34)17-25(35)18-27(36)37-5)28(22-11-13-23(32)14-12-22)29(31(33-30)20(3)4)21-9-7-6-8-10-21/h6-16,19-20,24-25,34-35H,17-18H2,1-5H3
InChIKeySDZZVYGDZKKQSR-UHFFFAOYSA-N
XLogP6.49
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.63
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-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

(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,3S,5R)-7-[4-(4-fluorophenyl)-2-propan-2-ylquinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 14229349
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
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)-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
methyl (E)-5-hydroxy-7-[5-[(E)-3-hydroxy-7-methoxy-5,7-dioxohept-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3-oxohept-6-enoate
CID 67734688
methyl 7-[2-cyclopropyl-4-(4-fluorophenyl)-5-(methoxymethyl)-6-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoate
CID 174275815
(E)-7-[5-ethenyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
CID 14652801
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
[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
sodium (E)-7-[4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dihydroxyhept-6-enoate
CID 23697822

Frequently Asked Questions

What is the IUPAC name of methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
The IUPAC name of methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate (CID 172810966) is methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate.
What is the SMILES notation for methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
The canonical SMILES for methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate is COC(=O)CC(O)CC(O)C=Cc1c(C(C)C)nc(C(C)C)c(-c2ccccc2)c1-c1ccc(F)cc1.
What is the InChIKey of methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
The InChIKey is SDZZVYGDZKKQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FNO4/c1-19(2)30-26(16-15-24(34)17-25(35)18-27(36)37-5)28(22-11-13-23(32)14-12-22)29(31(33-30)20(3)4)21-9-7-6-8-10-21/h6-16,19-20,24-25,34-35H,17-18H2,1-5H3.
What are the key properties of methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate?
methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate has a molecular weight of 505.63 g/mol, XLogP of 6.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[4-(4-fluorophenyl)-5-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoate is sourced from PubChem (CID 172810966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).