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

C21H13FN4O — CID 54073882

IUPAC3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(-c3ccc(F)cc3)n[nH]c2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C21H13FN4O/c22-14-10-8-13(9-11-14)18-17-19(25-24-18)16-7-4-12-23-20(16)26(21(17)27)15-5-2-1-3-6-15/h1-12H,(H,24,25)
InChIKeyMIIYZVSBUHNNCX-UHFFFAOYSA-N
MW356.36 g/mol
LogP4.07
Rot. Bonds2

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

3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 54073882) has the molecular formula C21H13FN4O and a molecular weight of 356.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one
PubChem CID54073882
Molecular FormulaC21H13FN4O
Molecular Weight356.36 g/mol
Exact Mass356.11
IUPAC Name3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one
SMILESO=c1c2c(-c3ccc(F)cc3)n[nH]c2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C21H13FN4O/c22-14-10-8-13(9-11-14)18-17-19(25-24-18)16-7-4-12-23-20(16)26(21(17)27)15-5-2-1-3-6-15/h1-12H,(H,24,25)
InChIKeyMIIYZVSBUHNNCX-UHFFFAOYSA-N
XLogP4.07
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one (CID 54073882) is 3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one is O=c1c2c(-c3ccc(F)cc3)n[nH]c2c2cccnc2n1-c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is MIIYZVSBUHNNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O/c22-14-10-8-13(9-11-14)18-17-19(25-24-18)16-7-4-12-23-20(16)26(21(17)27)15-5-2-1-3-6-15/h1-12H,(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one?
3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 356.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 54073882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).