7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

C11H7N3O2S — CID 171983985

IUPAC7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c2nc(-c3ccco3)ccc12
InChIInChI=1S/C11H7N3O2S/c15-10-6-3-4-7(8-2-1-5-16-8)12-9(6)13-11(17)14-10/h1-5H,(H2,12,13,14,15,17)
InChIKeyLJDWCITWURBHDY-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.24
Rot. Bonds1

About 7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 171983985) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID171983985
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c2nc(-c3ccco3)ccc12
InChIInChI=1S/C11H7N3O2S/c15-10-6-3-4-7(8-2-1-5-16-8)12-9(6)13-11(17)14-10/h1-5H,(H2,12,13,14,15,17)
InChIKeyLJDWCITWURBHDY-UHFFFAOYSA-N
XLogP2.24
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one (CID 171983985) is 7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(=S)[nH]c2nc(-c3ccco3)ccc12.
What is the InChIKey of 7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is LJDWCITWURBHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-10-6-3-4-7(8-2-1-5-16-8)12-9(6)13-11(17)14-10/h1-5H,(H2,12,13,14,15,17).
What are the key properties of 7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 245.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 171983985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).