5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

C19H12ClN3OS — CID 10361510

IUPAC5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H12ClN3OS/c20-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)21-17-16(14)18(24)23-19(25)22-17/h1-10H,(H2,21,22,23,24,25)
InChIKeyDYRBPRGPDWSBIO-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.97
Rot. Bonds2

About 5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 10361510) has the molecular formula C19H12ClN3OS and a molecular weight of 365.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID10361510
Molecular FormulaC19H12ClN3OS
Molecular Weight365.85 g/mol
Exact Mass365.04
IUPAC Name5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(=S)[nH]c2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H12ClN3OS/c20-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)21-17-16(14)18(24)23-19(25)22-17/h1-10H,(H2,21,22,23,24,25)
InChIKeyDYRBPRGPDWSBIO-UHFFFAOYSA-N
XLogP4.97
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.97
H-Bond Donors ≤ 52
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 5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one (CID 10361510) is 5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(=S)[nH]c2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is DYRBPRGPDWSBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3OS/c20-13-8-6-11(7-9-13)14-10-15(12-4-2-1-3-5-12)21-17-16(14)18(24)23-19(25)22-17/h1-10H,(H2,21,22,23,24,25).
What are the key properties of 5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one?
5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 365.85 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-phenyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 10361510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).