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

C24H14F6N4O2 — CID 86630445

IUPAC3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccccc3OC(F)(F)F)[nH]nc2c2cccnc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H14F6N4O2/c25-23(26,27)14-6-3-7-15(12-14)34-21-16(8-4-10-31-21)20-19(22(34)35)17(32-33-20)11-13-5-1-2-9-18(13)36-24(28,29)30/h1-10,12H,11H2,(H,32,33)
InChIKeyRLHNJQSQUTYQII-UHFFFAOYSA-N
MW504.39 g/mol
LogP5.77
Rot. Bonds4

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

3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (PubChem CID 86630445) has the molecular formula C24H14F6N4O2 and a molecular weight of 504.39 g/mol. Its IUPAC name is 3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
PubChem CID86630445
Molecular FormulaC24H14F6N4O2
Molecular Weight504.39 g/mol
Exact Mass504.10
IUPAC Name3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(Cc3ccccc3OC(F)(F)F)[nH]nc2c2cccnc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H14F6N4O2/c25-23(26,27)14-6-3-7-15(12-14)34-21-16(8-4-10-31-21)20-19(22(34)35)17(32-33-20)11-13-5-1-2-9-18(13)36-24(28,29)30/h1-10,12H,11H2,(H,32,33)
InChIKeyRLHNJQSQUTYQII-UHFFFAOYSA-N
XLogP5.77
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.39
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (CID 86630445) is 3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is O=c1c2c(Cc3ccccc3OC(F)(F)F)[nH]nc2c2cccnc2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The InChIKey is RLHNJQSQUTYQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6N4O2/c25-23(26,27)14-6-3-7-15(12-14)34-21-16(8-4-10-31-21)20-19(22(34)35)17(32-33-20)11-13-5-1-2-9-18(13)36-24(28,29)30/h1-10,12H,11H2,(H,32,33).
What are the key properties of 3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one has a molecular weight of 504.39 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 86630445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).