3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one

C18H15N3O2S — CID 129246322

IUPAC3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one
SMILESO=C1CS(=O)Cc2[nH]c(-c3ccncc3)c(Nc3ccccc3)c21
InChIInChI=1S/C18H15N3O2S/c22-15-11-24(23)10-14-16(15)18(20-13-4-2-1-3-5-13)17(21-14)12-6-8-19-9-7-12/h1-9,20-21H,10-11H2
InChIKeySDSLNJSPRDBWMN-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.27
Rot. Bonds3

About 3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one

3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one (PubChem CID 129246322) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one
PubChem CID129246322
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one
SMILESO=C1CS(=O)Cc2[nH]c(-c3ccncc3)c(Nc3ccccc3)c21
InChIInChI=1S/C18H15N3O2S/c22-15-11-24(23)10-14-16(15)18(20-13-4-2-1-3-5-13)17(21-14)12-6-8-19-9-7-12/h1-9,20-21H,10-11H2
InChIKeySDSLNJSPRDBWMN-UHFFFAOYSA-N
XLogP3.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one 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 3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one?
The IUPAC name of 3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one (CID 129246322) is 3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one.
What is the SMILES notation for 3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one?
The canonical SMILES for 3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one is O=C1CS(=O)Cc2[nH]c(-c3ccncc3)c(Nc3ccccc3)c21.
What is the InChIKey of 3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one?
The InChIKey is SDSLNJSPRDBWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-15-11-24(23)10-14-16(15)18(20-13-4-2-1-3-5-13)17(21-14)12-6-8-19-9-7-12/h1-9,20-21H,10-11H2.
What are the key properties of 3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one?
3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one has a molecular weight of 337.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one is sourced from PubChem (CID 129246322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).