2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine

C25H18FN3O — CID 71038198

IUPAC2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine
SMILESCc1ccc(F)c(-c2cc(-c3cncc(-c4ccc(C)o4)c3)c3cccnc3n2)c1
InChIInChI=1S/C25H18FN3O/c1-15-5-7-22(26)21(10-15)23-12-20(19-4-3-9-28-25(19)29-23)17-11-18(14-27-13-17)24-8-6-16(2)30-24/h3-14H,1-2H3
InChIKeyZCQZBZCQOMOXHN-UHFFFAOYSA-N
MW395.44 g/mol
LogP6.37
Rot. Bonds3

About 2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine

2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine (PubChem CID 71038198) has the molecular formula C25H18FN3O and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine
PubChem CID71038198
Molecular FormulaC25H18FN3O
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine
SMILESCc1ccc(F)c(-c2cc(-c3cncc(-c4ccc(C)o4)c3)c3cccnc3n2)c1
InChIInChI=1S/C25H18FN3O/c1-15-5-7-22(26)21(10-15)23-12-20(19-4-3-9-28-25(19)29-23)17-11-18(14-27-13-17)24-8-6-16(2)30-24/h3-14H,1-2H3
InChIKeyZCQZBZCQOMOXHN-UHFFFAOYSA-N
XLogP6.37
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine (CID 71038198) is 2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine is Cc1ccc(F)c(-c2cc(-c3cncc(-c4ccc(C)o4)c3)c3cccnc3n2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is ZCQZBZCQOMOXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O/c1-15-5-7-22(26)21(10-15)23-12-20(19-4-3-9-28-25(19)29-23)17-11-18(14-27-13-17)24-8-6-16(2)30-24/h3-14H,1-2H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine?
2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 395.44 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-4-[5-(5-methylfuran-2-yl)-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 71038198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).