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

C23H15F3N4O2 — CID 68949798

IUPAC5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccc(OC(F)(F)F)cc3)[nH]nc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C23H15F3N4O2/c24-23(25,26)32-16-10-8-14(9-11-16)13-18-19-20(29-28-18)17-7-4-12-27-21(17)30(22(19)31)15-5-2-1-3-6-15/h1-12H,13H2,(H,28,29)
InChIKeyXNTAJYHYPHJSKD-UHFFFAOYSA-N
MW436.39 g/mol
LogP4.75
Rot. Bonds4

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

5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (PubChem CID 68949798) has the molecular formula C23H15F3N4O2 and a molecular weight of 436.39 g/mol. Its IUPAC name is 5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
PubChem CID68949798
Molecular FormulaC23H15F3N4O2
Molecular Weight436.39 g/mol
Exact Mass436.11
IUPAC Name5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccc(OC(F)(F)F)cc3)[nH]nc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C23H15F3N4O2/c24-23(25,26)32-16-10-8-14(9-11-16)13-18-19-20(29-28-18)17-7-4-12-27-21(17)30(22(19)31)15-5-2-1-3-6-15/h1-12H,13H2,(H,28,29)
InChIKeyXNTAJYHYPHJSKD-UHFFFAOYSA-N
XLogP4.75
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (CID 68949798) is 5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is O=c1c2c(Cc3ccc(OC(F)(F)F)cc3)[nH]nc2c2cccnc2n1-c1ccccc1.
What is the InChIKey of 5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The InChIKey is XNTAJYHYPHJSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O2/c24-23(25,26)32-16-10-8-14(9-11-16)13-18-19-20(29-28-18)17-7-4-12-27-21(17)30(22(19)31)15-5-2-1-3-6-15/h1-12H,13H2,(H,28,29).
What are the key properties of 5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one has a molecular weight of 436.39 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 68949798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).