dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium

C25H25F3N5S+ — CID 163291590

IUPACdimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium
SMILESC[S+](C)c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc(C(F)(F)F)c1
InChIInChI=1S/C25H25F3N5S/c1-34(2)22-12-18(11-20(13-22)25(26,27)28)23-15-31-33-16-19(14-30-24(23)33)17-3-5-21(6-4-17)32-9-7-29-8-10-32/h3-6,11-16,29H,7-10H2,1-2H3/q+1
InChIKeyIGXAORVYDYWHQG-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.73
Rot. Bonds4

About dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium

dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium (PubChem CID 163291590) has the molecular formula C25H25F3N5S+ and a molecular weight of 484.57 g/mol. Its IUPAC name is dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium.

Molecular Properties

Compound Namedimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium
PubChem CID163291590
Molecular FormulaC25H25F3N5S+
Molecular Weight484.57 g/mol
Exact Mass484.18
IUPAC Namedimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium
SMILESC[S+](C)c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc(C(F)(F)F)c1
InChIInChI=1S/C25H25F3N5S/c1-34(2)22-12-18(11-20(13-22)25(26,27)28)23-15-31-33-16-19(14-30-24(23)33)17-3-5-21(6-4-17)32-9-7-29-8-10-32/h3-6,11-16,29H,7-10H2,1-2H3/q+1
InChIKeyIGXAORVYDYWHQG-UHFFFAOYSA-N
XLogP4.73
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium 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 dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium?
The IUPAC name of dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium (CID 163291590) is dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium.
What is the SMILES notation for dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium?
The canonical SMILES for dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium is C[S+](C)c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc(C(F)(F)F)c1.
What is the InChIKey of dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium?
The InChIKey is IGXAORVYDYWHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N5S/c1-34(2)22-12-18(11-20(13-22)25(26,27)28)23-15-31-33-16-19(14-30-24(23)33)17-3-5-21(6-4-17)32-9-7-29-8-10-32/h3-6,11-16,29H,7-10H2,1-2H3/q+1.
What are the key properties of dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium?
dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium has a molecular weight of 484.57 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-(trifluoromethyl)phenyl]sulfanium is sourced from PubChem (CID 163291590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).