2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C19H19FN2O2S — CID 95172050

IUPAC2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1c(C#N)c(SC[C@@H](O)COc2ccccc2F)nc2c1CCC2
InChIInChI=1S/C19H19FN2O2S/c1-12-14-5-4-7-17(14)22-19(15(12)9-21)25-11-13(23)10-24-18-8-3-2-6-16(18)20/h2-3,6,8,13,23H,4-5,7,10-11H2,1H3/t13-/m0/s1
InChIKeyJAPGMXWNJKVSLB-ZDUSSCGKSA-N
MW358.44 g/mol
LogP3.42
Rot. Bonds6

About 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 95172050) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID95172050
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1c(C#N)c(SC[C@@H](O)COc2ccccc2F)nc2c1CCC2
InChIInChI=1S/C19H19FN2O2S/c1-12-14-5-4-7-17(14)22-19(15(12)9-21)25-11-13(23)10-24-18-8-3-2-6-16(18)20/h2-3,6,8,13,23H,4-5,7,10-11H2,1H3/t13-/m0/s1
InChIKeyJAPGMXWNJKVSLB-ZDUSSCGKSA-N
XLogP3.42
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile 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

2-[3-(4-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 74616428
3-[3-(4-chlorophenyl)sulfanyl-2-hydroxypropyl]sulfanyl-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 23796425
2-[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 2942760
4-methyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 46641991
1-(2,3-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol;hydrochloride
CID 45283796
methyl 5-[1-[(3-cyano-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]ethyl]furan-2-carboxylate
CID 47026137
4-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 40952786
2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 1005510
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
1-pyridin-2-ylsulfanyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 43842282
1-(2-fluorophenoxy)-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol
CID 4601663
2-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]-6-fluorobenzonitrile
CID 109416148

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 95172050) is 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1c(C#N)c(SC[C@@H](O)COc2ccccc2F)nc2c1CCC2.
What is the InChIKey of 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is JAPGMXWNJKVSLB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-12-14-5-4-7-17(14)22-19(15(12)9-21)25-11-13(23)10-24-18-8-3-2-6-16(18)20/h2-3,6,8,13,23H,4-5,7,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 358.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 95172050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).