7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C17H13N3OS2 — CID 23966374

IUPAC7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c2c1C(c1cccs1)C=C(c1ccccc1)N2
InChIInChI=1S/C17H13N3OS2/c21-16-14-11(13-7-4-8-23-13)9-12(10-5-2-1-3-6-10)18-15(14)19-17(22)20-16/h1-9,11H,(H3,18,19,20,21,22)
InChIKeyWSZBWRKKDZMILT-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.09
Rot. Bonds2

About 7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 23966374) has the molecular formula C17H13N3OS2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID23966374
Molecular FormulaC17H13N3OS2
Molecular Weight339.44 g/mol
Exact Mass339.05
IUPAC Name7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c2c1C(c1cccs1)C=C(c1ccccc1)N2
InChIInChI=1S/C17H13N3OS2/c21-16-14-11(13-7-4-8-23-13)9-12(10-5-2-1-3-6-10)18-15(14)19-17(22)20-16/h1-9,11H,(H3,18,19,20,21,22)
InChIKeyWSZBWRKKDZMILT-UHFFFAOYSA-N
XLogP4.09
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.09
H-Bond Donors ≤ 53
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-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 23966374) is 7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(=S)[nH]c2c1C(c1cccs1)C=C(c1ccccc1)N2.
What is the InChIKey of 7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is WSZBWRKKDZMILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS2/c21-16-14-11(13-7-4-8-23-13)9-12(10-5-2-1-3-6-10)18-15(14)19-17(22)20-16/h1-9,11H,(H3,18,19,20,21,22).
What are the key properties of 7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 339.44 g/mol, XLogP of 4.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-sulfanylidene-5-thiophen-2-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 23966374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).