6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C25H19N3O2S — CID 19934676

IUPAC6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cnc3c(-c4ccc(Sc5ccccc5)cc4)c[nH]n3c2=O)cc1
InChIInChI=1S/C25H19N3O2S/c1-30-19-11-7-18(8-12-19)23-15-26-24-22(16-27-28(24)25(23)29)17-9-13-21(14-10-17)31-20-5-3-2-4-6-20/h2-16,27H,1H3
InChIKeyVKLRFUWUUXZVGC-UHFFFAOYSA-N
MW425.51 g/mol
LogP5.52
Rot. Bonds5

About 6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 19934676) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID19934676
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC Name6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cnc3c(-c4ccc(Sc5ccccc5)cc4)c[nH]n3c2=O)cc1
InChIInChI=1S/C25H19N3O2S/c1-30-19-11-7-18(8-12-19)23-15-26-24-22(16-27-28(24)25(23)29)17-9-13-21(14-10-17)31-20-5-3-2-4-6-20/h2-16,27H,1H3
InChIKeyVKLRFUWUUXZVGC-UHFFFAOYSA-N
XLogP5.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 19934676) is 6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2cnc3c(-c4ccc(Sc5ccccc5)cc4)c[nH]n3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VKLRFUWUUXZVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c1-30-19-11-7-18(8-12-19)23-15-26-24-22(16-27-28(24)25(23)29)17-9-13-21(14-10-17)31-20-5-3-2-4-6-20/h2-16,27H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 425.51 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 19934676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).