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

C24H17F3N4O — CID 68946480

IUPAC3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESCc1ccccc1Cc1[nH]nc2c1c(=O)n(-c1cccc(C(F)(F)F)c1)c1ncccc21
InChIInChI=1S/C24H17F3N4O/c1-14-6-2-3-7-15(14)12-19-20-21(30-29-19)18-10-5-11-28-22(18)31(23(20)32)17-9-4-8-16(13-17)24(25,26)27/h2-11,13H,12H2,1H3,(H,29,30)
InChIKeyJEFQOPJERIHJSF-UHFFFAOYSA-N
MW434.42 g/mol
LogP5.18
Rot. Bonds3

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

3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (PubChem CID 68946480) has the molecular formula C24H17F3N4O and a molecular weight of 434.42 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
PubChem CID68946480
Molecular FormulaC24H17F3N4O
Molecular Weight434.42 g/mol
Exact Mass434.14
IUPAC Name3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESCc1ccccc1Cc1[nH]nc2c1c(=O)n(-c1cccc(C(F)(F)F)c1)c1ncccc21
InChIInChI=1S/C24H17F3N4O/c1-14-6-2-3-7-15(14)12-19-20-21(30-29-19)18-10-5-11-28-22(18)31(23(20)32)17-9-4-8-16(13-17)24(25,26)27/h2-11,13H,12H2,1H3,(H,29,30)
InChIKeyJEFQOPJERIHJSF-UHFFFAOYSA-N
XLogP5.18
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (CID 68946480) is 3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is Cc1ccccc1Cc1[nH]nc2c1c(=O)n(-c1cccc(C(F)(F)F)c1)c1ncccc21.
What is the InChIKey of 3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The InChIKey is JEFQOPJERIHJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O/c1-14-6-2-3-7-15(14)12-19-20-21(30-29-19)18-10-5-11-28-22(18)31(23(20)32)17-9-4-8-16(13-17)24(25,26)27/h2-11,13H,12H2,1H3,(H,29,30).
What are the key properties of 3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one has a molecular weight of 434.42 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 68946480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).