2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

C22H25N5O2S — CID 135300391

IUPAC2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3cnc(C)n3C)n2n1
InChIInChI=1S/C22H25N5O2S/c1-5-6-11-30(28)22-13-21-24-18(16-7-9-17(29-4)10-8-16)12-19(27(21)25-22)20-14-23-15(2)26(20)3/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyMUMAJRLZSNJDIC-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.02
Rot. Bonds7

About 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 135300391) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID135300391
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3cnc(C)n3C)n2n1
InChIInChI=1S/C22H25N5O2S/c1-5-6-11-30(28)22-13-21-24-18(16-7-9-17(29-4)10-8-16)12-19(27(21)25-22)20-14-23-15(2)26(20)3/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyMUMAJRLZSNJDIC-UHFFFAOYSA-N
XLogP4.02
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine 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 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 135300391) is 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3cnc(C)n3C)n2n1.
What is the InChIKey of 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MUMAJRLZSNJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-5-6-11-30(28)22-13-21-24-18(16-7-9-17(29-4)10-8-16)12-19(27(21)25-22)20-14-23-15(2)26(20)3/h7-10,12-14H,5-6,11H2,1-4H3.
What are the key properties of 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 423.54 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135300391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).