5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17FN4O2S — CID 146554524

IUPAC5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(F)cc1CSc1ccn2ncc(C(=O)NC)c2n1
InChIInChI=1S/C17H17FN4O2S/c1-3-24-14-5-4-12(18)8-11(14)10-25-15-6-7-22-16(21-15)13(9-20-22)17(23)19-2/h4-9H,3,10H2,1-2H3,(H,19,23)
InChIKeyVJGCMTROAWEXOC-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.92
Rot. Bonds6

About 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146554524) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146554524
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(F)cc1CSc1ccn2ncc(C(=O)NC)c2n1
InChIInChI=1S/C17H17FN4O2S/c1-3-24-14-5-4-12(18)8-11(14)10-25-15-6-7-22-16(21-15)13(9-20-22)17(23)19-2/h4-9H,3,10H2,1-2H3,(H,19,23)
InChIKeyVJGCMTROAWEXOC-UHFFFAOYSA-N
XLogP2.92
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide 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 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146554524) is 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(F)cc1CSc1ccn2ncc(C(=O)NC)c2n1.
What is the InChIKey of 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VJGCMTROAWEXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-3-24-14-5-4-12(18)8-11(14)10-25-15-6-7-22-16(21-15)13(9-20-22)17(23)19-2/h4-9H,3,10H2,1-2H3,(H,19,23).
What are the key properties of 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146554524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).