5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one

C20H13ClFNOS — CID 69345377

IUPAC5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccc3sccc3c2)cc1Cc1ccc(Cl)cc1F
InChIInChI=1S/C20H13ClFNOS/c21-17-3-1-13(18(22)10-17)8-15-9-16(11-23-20(15)24)12-2-4-19-14(7-12)5-6-25-19/h1-7,9-11H,8H2,(H,23,24)
InChIKeyDOUJQJBTGSDBJI-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.64
Rot. Bonds3

About 5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one

5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one (PubChem CID 69345377) has the molecular formula C20H13ClFNOS and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one
PubChem CID69345377
Molecular FormulaC20H13ClFNOS
Molecular Weight369.85 g/mol
Exact Mass369.04
IUPAC Name5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ccc3sccc3c2)cc1Cc1ccc(Cl)cc1F
InChIInChI=1S/C20H13ClFNOS/c21-17-3-1-13(18(22)10-17)8-15-9-16(11-23-20(15)24)12-2-4-19-14(7-12)5-6-25-19/h1-7,9-11H,8H2,(H,23,24)
InChIKeyDOUJQJBTGSDBJI-UHFFFAOYSA-N
XLogP5.64
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one (CID 69345377) is 5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one is O=c1[nH]cc(-c2ccc3sccc3c2)cc1Cc1ccc(Cl)cc1F.
What is the InChIKey of 5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one?
The InChIKey is DOUJQJBTGSDBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNOS/c21-17-3-1-13(18(22)10-17)8-15-9-16(11-23-20(15)24)12-2-4-19-14(7-12)5-6-25-19/h1-7,9-11H,8H2,(H,23,24).
What are the key properties of 5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one?
5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one has a molecular weight of 369.85 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-5-yl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 69345377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).