4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one

C21H19FN2O2S — CID 22677638

IUPAC4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(c2ccccc2F)C1C(O)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C21H19FN2O2S/c1-24-19(25)11-15(14-6-2-3-7-16(14)22)20(24)21(26)18-9-8-17(27-18)13-5-4-10-23-12-13/h2-10,12,15,20-21,26H,11H2,1H3
InChIKeyANECZFSQWGGBGJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.00
Rot. Bonds4

About 4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one

4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one (PubChem CID 22677638) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one
PubChem CID22677638
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC Name4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(c2ccccc2F)C1C(O)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C21H19FN2O2S/c1-24-19(25)11-15(14-6-2-3-7-16(14)22)20(24)21(26)18-9-8-17(27-18)13-5-4-10-23-12-13/h2-10,12,15,20-21,26H,11H2,1H3
InChIKeyANECZFSQWGGBGJ-UHFFFAOYSA-N
XLogP4.00
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one (CID 22677638) is 4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one is CN1C(=O)CC(c2ccccc2F)C1C(O)c1ccc(-c2cccnc2)s1.
What is the InChIKey of 4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one?
The InChIKey is ANECZFSQWGGBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c1-24-19(25)11-15(14-6-2-3-7-16(14)22)20(24)21(26)18-9-8-17(27-18)13-5-4-10-23-12-13/h2-10,12,15,20-21,26H,11H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one?
4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one has a molecular weight of 382.46 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 22677638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).