2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine

C20H12F4N4O — CID 53372323

IUPAC2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine
SMILESFc1ccc(OC(F)(F)F)cc1-c1cc(Nc2ccncc2)c2cccnc2n1
InChIInChI=1S/C20H12F4N4O/c21-16-4-3-13(29-20(22,23)24)10-15(16)18-11-17(27-12-5-8-25-9-6-12)14-2-1-7-26-19(14)28-18/h1-11H,(H,25,26,27,28)
InChIKeyGHBVITIIEGNHMY-UHFFFAOYSA-N
MW400.34 g/mol
LogP5.47
Rot. Bonds4

About 2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine

2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine (PubChem CID 53372323) has the molecular formula C20H12F4N4O and a molecular weight of 400.34 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine
PubChem CID53372323
Molecular FormulaC20H12F4N4O
Molecular Weight400.34 g/mol
Exact Mass400.09
IUPAC Name2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine
SMILESFc1ccc(OC(F)(F)F)cc1-c1cc(Nc2ccncc2)c2cccnc2n1
InChIInChI=1S/C20H12F4N4O/c21-16-4-3-13(29-20(22,23)24)10-15(16)18-11-17(27-12-5-8-25-9-6-12)14-2-1-7-26-19(14)28-18/h1-11H,(H,25,26,27,28)
InChIKeyGHBVITIIEGNHMY-UHFFFAOYSA-N
XLogP5.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.34
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine (CID 53372323) is 2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine is Fc1ccc(OC(F)(F)F)cc1-c1cc(Nc2ccncc2)c2cccnc2n1.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine?
The InChIKey is GHBVITIIEGNHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O/c21-16-4-3-13(29-20(22,23)24)10-15(16)18-11-17(27-12-5-8-25-9-6-12)14-2-1-7-26-19(14)28-18/h1-11H,(H,25,26,27,28).
What are the key properties of 2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine?
2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine has a molecular weight of 400.34 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethoxy)phenyl]-N-pyridin-4-yl-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53372323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).