2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one

C14H15FN2O2S — CID 22748339

IUPAC2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
SMILESCOc1ccc(N2C(=O)C3CCCCN3C2=S)c(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-19-9-5-6-11(10(15)8-9)17-13(18)12-4-2-3-7-16(12)14(17)20/h5-6,8,12H,2-4,7H2,1H3
InChIKeyBNWVGKVDDXFQCV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one

2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one (PubChem CID 22748339) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
PubChem CID22748339
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one
SMILESCOc1ccc(N2C(=O)C3CCCCN3C2=S)c(F)c1
InChIInChI=1S/C14H15FN2O2S/c1-19-9-5-6-11(10(15)8-9)17-13(18)12-4-2-3-7-16(12)14(17)20/h5-6,8,12H,2-4,7H2,1H3
InChIKeyBNWVGKVDDXFQCV-UHFFFAOYSA-N
XLogP2.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one (CID 22748339) is 2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one is COc1ccc(N2C(=O)C3CCCCN3C2=S)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one?
The InChIKey is BNWVGKVDDXFQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-19-9-5-6-11(10(15)8-9)17-13(18)12-4-2-3-7-16(12)14(17)20/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one?
2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one has a molecular weight of 294.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-3-sulfanylidene-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 22748339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).