7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one

C17H10F4N4O — CID 145452996

IUPAC7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
SMILESO=C1C2=CN=NC2c2cnc(-c3ccc(F)cc3)cc2N1CC(F)(F)F
InChIInChI=1S/C17H10F4N4O/c18-10-3-1-9(2-4-10)13-5-14-11(6-22-13)15-12(7-23-24-15)16(26)25(14)8-17(19,20)21/h1-7,15H,8H2
InChIKeyNDPBDOGDOUMIQK-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.19
Rot. Bonds2

About 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one

7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one (PubChem CID 145452996) has the molecular formula C17H10F4N4O and a molecular weight of 362.29 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
PubChem CID145452996
Molecular FormulaC17H10F4N4O
Molecular Weight362.29 g/mol
Exact Mass362.08
IUPAC Name7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
SMILESO=C1C2=CN=NC2c2cnc(-c3ccc(F)cc3)cc2N1CC(F)(F)F
InChIInChI=1S/C17H10F4N4O/c18-10-3-1-9(2-4-10)13-5-14-11(6-22-13)15-12(7-23-24-15)16(26)25(14)8-17(19,20)21/h1-7,15H,8H2
InChIKeyNDPBDOGDOUMIQK-UHFFFAOYSA-N
XLogP4.19
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one (CID 145452996) is 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one is O=C1C2=CN=NC2c2cnc(-c3ccc(F)cc3)cc2N1CC(F)(F)F.
What is the InChIKey of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The InChIKey is NDPBDOGDOUMIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4O/c18-10-3-1-9(2-4-10)13-5-14-11(6-22-13)15-12(7-23-24-15)16(26)25(14)8-17(19,20)21/h1-7,15H,8H2.
What are the key properties of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one has a molecular weight of 362.29 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one is sourced from PubChem (CID 145452996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).