2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C26H17F3N4O2 — CID 20790477

IUPAC2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Oc3ccccn3)cc(C(F)(F)F)c12
InChIInChI=1S/C26H17F3N4O2/c27-26(28,29)19-15-23(35-22-13-7-8-14-30-22)32-25-24(19)20(34)16-21(31-17-9-3-1-4-10-17)33(25)18-11-5-2-6-12-18/h1-16,31H
InChIKeyROIHYBZJBYNZJN-UHFFFAOYSA-N
MW474.44 g/mol
LogP6.34
Rot. Bonds5

About 2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790477) has the molecular formula C26H17F3N4O2 and a molecular weight of 474.44 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790477
Molecular FormulaC26H17F3N4O2
Molecular Weight474.44 g/mol
Exact Mass474.13
IUPAC Name2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Oc3ccccn3)cc(C(F)(F)F)c12
InChIInChI=1S/C26H17F3N4O2/c27-26(28,29)19-15-23(35-22-13-7-8-14-30-22)32-25-24(19)20(34)16-21(31-17-9-3-1-4-10-17)33(25)18-11-5-2-6-12-18/h1-16,31H
InChIKeyROIHYBZJBYNZJN-UHFFFAOYSA-N
XLogP6.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.44
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790477) is 2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Oc3ccccn3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is ROIHYBZJBYNZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4O2/c27-26(28,29)19-15-23(35-22-13-7-8-14-30-22)32-25-24(19)20(34)16-21(31-17-9-3-1-4-10-17)33(25)18-11-5-2-6-12-18/h1-16,31H.
What are the key properties of 2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 474.44 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).