3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one

C15H10F6N4O — CID 155094922

IUPAC3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one
SMILESCC(c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c2cnc(=O)[nH]c21
InChIInChI=1S/C15H10F6N4O/c1-6(8-3-2-7(4-10(8)16)15(19,20)21)25-13-9(5-22-14(26)23-13)11(24-25)12(17)18/h2-6,12H,1H3,(H,22,23,26)
InChIKeyCQZRZPKDZKCMQQ-UHFFFAOYSA-N
MW376.26 g/mol
LogP3.82
Rot. Bonds3

About 3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one

3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one (PubChem CID 155094922) has the molecular formula C15H10F6N4O and a molecular weight of 376.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one
PubChem CID155094922
Molecular FormulaC15H10F6N4O
Molecular Weight376.26 g/mol
Exact Mass376.08
IUPAC Name3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one
SMILESCC(c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c2cnc(=O)[nH]c21
InChIInChI=1S/C15H10F6N4O/c1-6(8-3-2-7(4-10(8)16)15(19,20)21)25-13-9(5-22-14(26)23-13)11(24-25)12(17)18/h2-6,12H,1H3,(H,22,23,26)
InChIKeyCQZRZPKDZKCMQQ-UHFFFAOYSA-N
XLogP3.82
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-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

3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 135567410
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
1-(2,4-Difluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 2810118
1-[4-(4-Fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
CID 2810694
1-(4-Fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
CID 2810697
1-(2-Benzyl-5-methylpyrazol-3-yl)-3-(3,4-difluorophenyl)urea
CID 48750778
3,6-dimethyl-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137106566
1-(3,4-Difluorophenyl)-3-[5-methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 71812406
1-(2-Benzyl-5-cyclopropylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 71812795
1-(1-Benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-fluorophenyl)urea
CID 71812970

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one?
The IUPAC name of 3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one (CID 155094922) is 3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one.
What is the SMILES notation for 3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one?
The canonical SMILES for 3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one is CC(c1ccc(C(F)(F)F)cc1F)n1nc(C(F)F)c2cnc(=O)[nH]c21.
What is the InChIKey of 3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one?
The InChIKey is CQZRZPKDZKCMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N4O/c1-6(8-3-2-7(4-10(8)16)15(19,20)21)25-13-9(5-22-14(26)23-13)11(24-25)12(17)18/h2-6,12H,1H3,(H,22,23,26).
What are the key properties of 3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one?
3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one has a molecular weight of 376.26 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-d]pyrimidin-6-one is sourced from PubChem (CID 155094922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).