3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H11F5N4O — CID 162597685

IUPAC3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC=C(c1ccc(C(F)(F)F)cc1)n1nc(C(F)F)c2c(=O)[nH]c(C)nc21
InChIInChI=1S/C16H11F5N4O/c1-7(9-3-5-10(6-4-9)16(19,20)21)25-14-11(12(24-25)13(17)18)15(26)23-8(2)22-14/h3-6,13H,1H2,2H3,(H,22,23,26)
InChIKeyDUMHKYISWMXOFM-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.90
Rot. Bonds3

About 3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 162597685) has the molecular formula C16H11F5N4O and a molecular weight of 370.28 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID162597685
Molecular FormulaC16H11F5N4O
Molecular Weight370.28 g/mol
Exact Mass370.09
IUPAC Name3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC=C(c1ccc(C(F)(F)F)cc1)n1nc(C(F)F)c2c(=O)[nH]c(C)nc21
InChIInChI=1S/C16H11F5N4O/c1-7(9-3-5-10(6-4-9)16(19,20)21)25-14-11(12(24-25)13(17)18)15(26)23-8(2)22-14/h3-6,13H,1H2,2H3,(H,22,23,26)
InChIKeyDUMHKYISWMXOFM-UHFFFAOYSA-N
XLogP3.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 162597685) is 3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C=C(c1ccc(C(F)(F)F)cc1)n1nc(C(F)F)c2c(=O)[nH]c(C)nc21.
What is the InChIKey of 3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DUMHKYISWMXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N4O/c1-7(9-3-5-10(6-4-9)16(19,20)21)25-14-11(12(24-25)13(17)18)15(26)23-8(2)22-14/h3-6,13H,1H2,2H3,(H,22,23,26).
What are the key properties of 3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 370.28 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-methyl-1-[1-[4-(trifluoromethyl)phenyl]ethenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 162597685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).