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

C16H10F3N5O — CID 145452995

IUPAC7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
SMILESO=C1C2=CN=NC2c2cnc(-c3ccccn3)cc2N1CC(F)(F)F
InChIInChI=1S/C16H10F3N5O/c17-16(18,19)8-24-13-5-12(11-3-1-2-4-20-11)21-6-9(13)14-10(15(24)25)7-22-23-14/h1-7,14H,8H2
InChIKeyJLSROINIGIMOJS-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.44
Rot. Bonds2

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

7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one (PubChem CID 145452995) has the molecular formula C16H10F3N5O and a molecular weight of 345.28 g/mol. Its IUPAC name is 7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
PubChem CID145452995
Molecular FormulaC16H10F3N5O
Molecular Weight345.28 g/mol
Exact Mass345.08
IUPAC Name7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
SMILESO=C1C2=CN=NC2c2cnc(-c3ccccn3)cc2N1CC(F)(F)F
InChIInChI=1S/C16H10F3N5O/c17-16(18,19)8-24-13-5-12(11-3-1-2-4-20-11)21-6-9(13)14-10(15(24)25)7-22-23-14/h1-7,14H,8H2
InChIKeyJLSROINIGIMOJS-UHFFFAOYSA-N
XLogP3.44
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The IUPAC name of 7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one (CID 145452995) is 7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one.
What is the SMILES notation for 7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The canonical SMILES for 7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one is O=C1C2=CN=NC2c2cnc(-c3ccccn3)cc2N1CC(F)(F)F.
What is the InChIKey of 7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The InChIKey is JLSROINIGIMOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O/c17-16(18,19)8-24-13-5-12(11-3-1-2-4-20-11)21-6-9(13)14-10(15(24)25)7-22-23-14/h1-7,14H,8H2.
What are the key properties of 7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one has a molecular weight of 345.28 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-2-yl-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one is sourced from PubChem (CID 145452995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).