5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H21FN4O3S — CID 110216081

IUPAC5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C3CCCCN3S(=O)(=O)c3ccc(F)cc3)cc2n1
InChIInChI=1S/C19H21FN4O3S/c1-2-14-11-19(25)24-18(21-14)12-16(22-24)17-5-3-4-10-23(17)28(26,27)15-8-6-13(20)7-9-15/h6-9,11-12,17,22H,2-5,10H2,1H3
InChIKeyLOFBATZSRHSSEB-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.64
Rot. Bonds4

About 5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216081) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110216081
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C3CCCCN3S(=O)(=O)c3ccc(F)cc3)cc2n1
InChIInChI=1S/C19H21FN4O3S/c1-2-14-11-19(25)24-18(21-14)12-16(22-24)17-5-3-4-10-23(17)28(26,27)15-8-6-13(20)7-9-15/h6-9,11-12,17,22H,2-5,10H2,1H3
InChIKeyLOFBATZSRHSSEB-UHFFFAOYSA-N
XLogP2.64
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-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

Related Compounds

12-(3,5-Difluorophenyl)sulfonyl-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 53183856
4-fluoro-3-[2-[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 123642078
2-[[4-(4-Fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9254567
2-[[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9254568
2-[[4-(2-Fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9254583
2-[[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9254584
2-[[4-(3-Fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9254706
2-[[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9254707
6-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 56531983
2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92418774
2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92418775
3-fluoro-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzenesulfonamide
CID 92555712

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216081) is 5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(C3CCCCN3S(=O)(=O)c3ccc(F)cc3)cc2n1.
What is the InChIKey of 5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LOFBATZSRHSSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-2-14-11-19(25)24-18(21-14)12-16(22-24)17-5-3-4-10-23(17)28(26,27)15-8-6-13(20)7-9-15/h6-9,11-12,17,22H,2-5,10H2,1H3.
What are the key properties of 5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 404.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110216081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).