5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine

C20H22FNO4S — CID 144526586

IUPAC5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine
SMILESCS(=O)(=O)C1C[C@]12COCC[C@@H]2COc1ccc(-c2ccc(F)cn2)cc1
InChIInChI=1S/C20H22FNO4S/c1-27(23,24)19-10-20(19)13-25-9-8-15(20)12-26-17-5-2-14(3-6-17)18-7-4-16(21)11-22-18/h2-7,11,15,19H,8-10,12-13H2,1H3/t15-,19?,20-/m1/s1
InChIKeyWHFVJCUJELRHNN-CSKFVBRQSA-N
MW391.46 g/mol
LogP3.11
Rot. Bonds5

About 5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine

5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine (PubChem CID 144526586) has the molecular formula C20H22FNO4S and a molecular weight of 391.46 g/mol. Its IUPAC name is 5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine
PubChem CID144526586
Molecular FormulaC20H22FNO4S
Molecular Weight391.46 g/mol
Exact Mass391.13
IUPAC Name5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine
SMILESCS(=O)(=O)C1C[C@]12COCC[C@@H]2COc1ccc(-c2ccc(F)cn2)cc1
InChIInChI=1S/C20H22FNO4S/c1-27(23,24)19-10-20(19)13-25-9-8-15(20)12-26-17-5-2-14(3-6-17)18-7-4-16(21)11-22-18/h2-7,11,15,19H,8-10,12-13H2,1H3/t15-,19?,20-/m1/s1
InChIKeyWHFVJCUJELRHNN-CSKFVBRQSA-N
XLogP3.11
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine?
The IUPAC name of 5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine (CID 144526586) is 5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine.
What is the SMILES notation for 5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine?
The canonical SMILES for 5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine is CS(=O)(=O)C1C[C@]12COCC[C@@H]2COc1ccc(-c2ccc(F)cn2)cc1.
What is the InChIKey of 5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine?
The InChIKey is WHFVJCUJELRHNN-CSKFVBRQSA-N. The full InChI is InChI=1S/C20H22FNO4S/c1-27(23,24)19-10-20(19)13-25-9-8-15(20)12-26-17-5-2-14(3-6-17)18-7-4-16(21)11-22-18/h2-7,11,15,19H,8-10,12-13H2,1H3/t15-,19?,20-/m1/s1.
What are the key properties of 5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine?
5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine has a molecular weight of 391.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[[(3S,8S)-2-methylsulfonyl-5-oxaspiro[2.5]octan-8-yl]methoxy]phenyl]pyridine is sourced from PubChem (CID 144526586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).