[5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol

C26H30FNOS — CID 20647537

IUPAC[5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCC(C)c1nc(C(C)C)c(CSCc2ccccc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C26H30FNOS/c1-17(2)25-22(14-29)24(20-10-12-21(27)13-11-20)23(26(28-25)18(3)4)16-30-15-19-8-6-5-7-9-19/h5-13,17-18,29H,14-16H2,1-4H3
InChIKeyBAARPIBBOVGTCJ-UHFFFAOYSA-N
MW423.60 g/mol
LogP7.06
Rot. Bonds8

About [5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol

[5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 20647537) has the molecular formula C26H30FNOS and a molecular weight of 423.60 g/mol. Its IUPAC name is [5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID20647537
Molecular FormulaC26H30FNOS
Molecular Weight423.60 g/mol
Exact Mass423.20
IUPAC Name[5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCC(C)c1nc(C(C)C)c(CSCc2ccccc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C26H30FNOS/c1-17(2)25-22(14-29)24(20-10-12-21(27)13-11-20)23(26(28-25)18(3)4)16-30-15-19-8-6-5-7-9-19/h5-13,17-18,29H,14-16H2,1-4H3
InChIKeyBAARPIBBOVGTCJ-UHFFFAOYSA-N
XLogP7.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol 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

[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(pyridin-4-ylsulfanylmethyl)-3-pyridinyl]methanol
CID 20647521
[4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22004961
4-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]butan-1-ol
CID 22005370
[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005324
[4-(4-fluorophenyl)-5-methoxy-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 53407193
[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(trideuteriomethoxymethyl)-3-pyridinyl]methanol
CID 11645697
[4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005217
[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005170
2-[3-(aminomethyl)-4-(4-fluorophenyl)-5-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]benzoic acid
CID 58992900
[4-(4-fluorophenyl)-6-methoxy-5-(methoxymethyl)-2-propan-2-yl-3-pyridinyl]methanol
CID 54492594
[4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol
CID 54316367
[4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol
CID 22005376

Frequently Asked Questions

What is the IUPAC name of [5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 20647537) is [5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CC(C)c1nc(C(C)C)c(CSCc2ccccc2)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is BAARPIBBOVGTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FNOS/c1-17(2)25-22(14-29)24(20-10-12-21(27)13-11-20)23(26(28-25)18(3)4)16-30-15-19-8-6-5-7-9-19/h5-13,17-18,29H,14-16H2,1-4H3.
What are the key properties of [5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 423.60 g/mol, XLogP of 7.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylsulfanylmethyl)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 20647537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).