(6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one

C25H17N3O2S — CID 135711022

IUPAC(6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1/c(=C(/O)c2ccccc2)cnc2c(-c3ccc(Sc4ccccc4)cc3)cnn12
InChIInChI=1S/C25H17N3O2S/c29-23(18-7-3-1-4-8-18)22-15-26-24-21(16-27-28(24)25(22)30)17-11-13-20(14-12-17)31-19-9-5-2-6-10-19/h1-16,29H/b23-22+
InChIKeyGSLHQNZRGDKGNW-GHVJWSGMSA-N
MW423.50 g/mol
LogP4.34
Rot. Bonds4

About (6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one

(6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 135711022) has the molecular formula C25H17N3O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is (6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name(6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID135711022
Molecular FormulaC25H17N3O2S
Molecular Weight423.50 g/mol
Exact Mass423.10
IUPAC Name(6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1/c(=C(/O)c2ccccc2)cnc2c(-c3ccc(Sc4ccccc4)cc3)cnn12
InChIInChI=1S/C25H17N3O2S/c29-23(18-7-3-1-4-8-18)22-15-26-24-21(16-27-28(24)25(22)30)17-11-13-20(14-12-17)31-19-9-5-2-6-10-19/h1-16,29H/b23-22+
InChIKeyGSLHQNZRGDKGNW-GHVJWSGMSA-N
XLogP4.34
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of (6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 135711022) is (6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for (6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for (6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is O=c1/c(=C(/O)c2ccccc2)cnc2c(-c3ccc(Sc4ccccc4)cc3)cnn12.
What is the InChIKey of (6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GSLHQNZRGDKGNW-GHVJWSGMSA-N. The full InChI is InChI=1S/C25H17N3O2S/c29-23(18-7-3-1-4-8-18)22-15-26-24-21(16-27-28(24)25(22)30)17-11-13-20(14-12-17)31-19-9-5-2-6-10-19/h1-16,29H/b23-22+.
What are the key properties of (6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
(6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 423.50 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[hydroxy(phenyl)methylidene]-3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135711022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).