3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one

C20H19F5N4O4S — CID 165394098

IUPAC3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one
SMILESCCS(=O)(=O)c1nn2c(C3CC3)ccnc2c1-c1ccc(OCC(F)(F)C(F)(F)F)n(C)c1=O
InChIInChI=1S/C20H19F5N4O4S/c1-3-34(31,32)17-15(16-26-9-8-13(11-4-5-11)29(16)27-17)12-6-7-14(28(2)18(12)30)33-10-19(21,22)20(23,24)25/h6-9,11H,3-5,10H2,1-2H3
InChIKeyWAAFCGVLXNYKKV-UHFFFAOYSA-N
MW506.45 g/mol
LogP3.34
Rot. Bonds7

About 3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one

3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one (PubChem CID 165394098) has the molecular formula C20H19F5N4O4S and a molecular weight of 506.45 g/mol. Its IUPAC name is 3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one.

Molecular Properties

Compound Name3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one
PubChem CID165394098
Molecular FormulaC20H19F5N4O4S
Molecular Weight506.45 g/mol
Exact Mass506.10
IUPAC Name3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one
SMILESCCS(=O)(=O)c1nn2c(C3CC3)ccnc2c1-c1ccc(OCC(F)(F)C(F)(F)F)n(C)c1=O
InChIInChI=1S/C20H19F5N4O4S/c1-3-34(31,32)17-15(16-26-9-8-13(11-4-5-11)29(16)27-17)12-6-7-14(28(2)18(12)30)33-10-19(21,22)20(23,24)25/h6-9,11H,3-5,10H2,1-2H3
InChIKeyWAAFCGVLXNYKKV-UHFFFAOYSA-N
XLogP3.34
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

7-cyclopropyl-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 165394036
7-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 177235949
N-(cyclopropylmethyl)-2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 165394079
2-ethylsulfonyl-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 165394081
2-ethylsulfonyl-3-[6-(2,2,3,3,3-pentafluoropropoxy)pyridazin-3-yl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 177236202
2-ethylsulfonyl-7-(4-fluorophenyl)-3-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 165394090
N-(1-cyclopropylethyl)-2-ethylsulfonyl-3-[8-(2,2,3,3,3-pentafluoropropoxy)imidazo[1,5-a]pyrazin-3-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236097
N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
CID 177235986
[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]cyanamide
CID 177235768
[7-cyclopropyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-imino-oxo-λ6-sulfane
CID 177235854
2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
CID 177236025
7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 177235952

Frequently Asked Questions

What is the IUPAC name of 3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one?
The IUPAC name of 3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one (CID 165394098) is 3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one.
What is the SMILES notation for 3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one?
The canonical SMILES for 3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one is CCS(=O)(=O)c1nn2c(C3CC3)ccnc2c1-c1ccc(OCC(F)(F)C(F)(F)F)n(C)c1=O.
What is the InChIKey of 3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one?
The InChIKey is WAAFCGVLXNYKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N4O4S/c1-3-34(31,32)17-15(16-26-9-8-13(11-4-5-11)29(16)27-17)12-6-7-14(28(2)18(12)30)33-10-19(21,22)20(23,24)25/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one?
3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one has a molecular weight of 506.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-cyclopropyl-2-ethylsulfonylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-one is sourced from PubChem (CID 165394098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).