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

C16H9ClF3N5O — CID 145452994

IUPAC7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
SMILESO=C1C2=CN=NC2c2cnc(-c3cccnc3Cl)cc2N1CC(F)(F)F
InChIInChI=1S/C16H9ClF3N5O/c17-14-8(2-1-3-21-14)11-4-12-9(5-22-11)13-10(6-23-24-13)15(26)25(12)7-16(18,19)20/h1-6,13H,7H2
InChIKeyOGJRFDFQBMHGED-UHFFFAOYSA-N
MW379.73 g/mol
LogP4.10
Rot. Bonds2

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

7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one (PubChem CID 145452994) has the molecular formula C16H9ClF3N5O and a molecular weight of 379.73 g/mol. Its IUPAC name is 7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
PubChem CID145452994
Molecular FormulaC16H9ClF3N5O
Molecular Weight379.73 g/mol
Exact Mass379.04
IUPAC Name7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
SMILESO=C1C2=CN=NC2c2cnc(-c3cccnc3Cl)cc2N1CC(F)(F)F
InChIInChI=1S/C16H9ClF3N5O/c17-14-8(2-1-3-21-14)11-4-12-9(5-22-11)13-10(6-23-24-13)15(26)25(12)7-16(18,19)20/h1-6,13H,7H2
InChIKeyOGJRFDFQBMHGED-UHFFFAOYSA-N
XLogP4.10
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.73
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The IUPAC name of 7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one (CID 145452994) is 7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one.
What is the SMILES notation for 7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The canonical SMILES for 7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one is O=C1C2=CN=NC2c2cnc(-c3cccnc3Cl)cc2N1CC(F)(F)F.
What is the InChIKey of 7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The InChIKey is OGJRFDFQBMHGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N5O/c17-14-8(2-1-3-21-14)11-4-12-9(5-22-11)13-10(6-23-24-13)15(26)25(12)7-16(18,19)20/h1-6,13H,7H2.
What are the key properties of 7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one has a molecular weight of 379.73 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one is sourced from PubChem (CID 145452994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).