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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Related Compounds

N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333
7-(furan-2-yl)-6-(pyrimidin-4-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 46880424
1-Benzyl-7-(furan-2-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2112373
7-(Furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2112380
2-(furan-2-yl)-N-(6-methylpyridin-2-yl)quinoline-4-carboxamide
CID 2345962
N-(furan-2-ylmethyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 44403643
N-(5-cyano-6-(furan-2-yl)pyridin-2-yl)cyclopropanecarboxamide
CID 46880373
Isoquinoline, 1-amino-3-(2-furyl)-
CID 217002
N-[6-(furan-2-yl)-5-(5H-tetrazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 46880374
2-Furan-2-yl-7-methyl-1H-(1,8)naphthyridin-4-one
CID 13285535
3-[(2-ethylpiperidin-1-yl)carbonyl]-N-(2-furylmethyl)-6-methylpyridin-2-amine
CID 59625236
7-(Furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2112414

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).