N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide

C17H15F3N6O3 — CID 55545337

IUPACN-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCCNC(=O)NC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C17H15F3N6O3/c1-2-21-16(29)24-13(27)8-25-9-22-14-12(15(25)28)7-23-26(14)11-5-3-4-10(6-11)17(18,19)20/h3-7,9H,2,8H2,1H3,(H2,21,24,27,29)
InChIKeyWQTWASDAAXDONH-UHFFFAOYSA-N
MW408.34 g/mol
LogP1.45
Rot. Bonds4

About N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide

N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide (PubChem CID 55545337) has the molecular formula C17H15F3N6O3 and a molecular weight of 408.34 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide
PubChem CID55545337
Molecular FormulaC17H15F3N6O3
Molecular Weight408.34 g/mol
Exact Mass408.12
IUPAC NameN-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCCNC(=O)NC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C17H15F3N6O3/c1-2-21-16(29)24-13(27)8-25-9-22-14-12(15(25)28)7-23-26(14)11-5-3-4-10(6-11)17(18,19)20/h3-7,9H,2,8H2,1H3,(H2,21,24,27,29)
InChIKeyWQTWASDAAXDONH-UHFFFAOYSA-N
XLogP1.45
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide 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

N-[2-(4-methoxyphenyl)ethyl]-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 24670187
2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyethyl)acetamide
CID 24670234
N-(2-methyl-6-propan-2-ylphenyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 55547197
1-[3-(trifluoromethyl)phenyl]-5-(trimethylsilylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 56529698
2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55546535
5-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 24670227
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(methylcarbamoyl)acetamide
CID 30694252
5-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 112813066
5-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 24661773
N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679911
N-[(2-chlorophenyl)methyl]-2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16799484
2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)acetamide
CID 7243703

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide (CID 55545337) is N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide is CCNC(=O)NC(=O)Cn1cnc2c(cnn2-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The InChIKey is WQTWASDAAXDONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O3/c1-2-21-16(29)24-13(27)8-25-9-22-14-12(15(25)28)7-23-26(14)11-5-3-4-10(6-11)17(18,19)20/h3-7,9H,2,8H2,1H3,(H2,21,24,27,29).
What are the key properties of N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 408.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 55545337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).