5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

C23H15F3N4O — CID 68948107

IUPAC5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccccc3C(F)(F)F)[nH]nc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C23H15F3N4O/c24-23(25,26)17-11-5-4-7-14(17)13-18-19-20(29-28-18)16-10-6-12-27-21(16)30(22(19)31)15-8-2-1-3-9-15/h1-12H,13H2,(H,28,29)
InChIKeyPUNKHTMMMBUOAS-UHFFFAOYSA-N
MW420.39 g/mol
LogP4.87
Rot. Bonds3

About 5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (PubChem CID 68948107) has the molecular formula C23H15F3N4O and a molecular weight of 420.39 g/mol. Its IUPAC name is 5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
PubChem CID68948107
Molecular FormulaC23H15F3N4O
Molecular Weight420.39 g/mol
Exact Mass420.12
IUPAC Name5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccccc3C(F)(F)F)[nH]nc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C23H15F3N4O/c24-23(25,26)17-11-5-4-7-14(17)13-18-19-20(29-28-18)16-10-6-12-27-21(16)30(22(19)31)15-8-2-1-3-9-15/h1-12H,13H2,(H,28,29)
InChIKeyPUNKHTMMMBUOAS-UHFFFAOYSA-N
XLogP4.87
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-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 5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (CID 68948107) is 5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is O=c1c2c(Cc3ccccc3C(F)(F)F)[nH]nc2c2cccnc2n1-c1ccccc1.
What is the InChIKey of 5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The InChIKey is PUNKHTMMMBUOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O/c24-23(25,26)17-11-5-4-7-14(17)13-18-19-20(29-28-18)16-10-6-12-27-21(16)30(22(19)31)15-8-2-1-3-9-15/h1-12H,13H2,(H,28,29).
What are the key properties of 5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one has a molecular weight of 420.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 68948107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).