N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C21H24N4O2S — CID 56540542

IUPACN-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C21H24N4O2S/c1-13-18(14(2)25-19(22-13)12-21(27)24-25)11-20(26)23-15-7-9-17(10-8-15)28-16-5-3-4-6-16/h7-10,12,16H,3-6,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKTNBZZBEPUOOJS-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.86
Rot. Bonds5

About N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 56540542) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID56540542
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C21H24N4O2S/c1-13-18(14(2)25-19(22-13)12-21(27)24-25)11-20(26)23-15-7-9-17(10-8-15)28-16-5-3-4-6-16/h7-10,12,16H,3-6,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyKTNBZZBEPUOOJS-UHFFFAOYSA-N
XLogP3.86
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 56549830
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 56531857
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 56531921
dimethyl 5-[[2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 56531596
N-(4-cyclopentylsulfanylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 46598351
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56531916
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56531847
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 56531892
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide
CID 56545162
(2R)-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidine-2-carboxamide
CID 124697517
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56531855
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447418

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 56540542) is N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(SC2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is KTNBZZBEPUOOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-13-18(14(2)25-19(22-13)12-21(27)24-25)11-20(26)23-15-7-9-17(10-8-15)28-16-5-3-4-6-16/h7-10,12,16H,3-6,11H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 396.52 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 56540542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).