5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H21FN4O3 — CID 118948896

IUPAC5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccc(F)cc5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C26H21FN4O3/c27-18-3-1-15(2-4-18)21-13-29-25(30-21)17-11-16-12-19(5-7-22(16)33-14-17)34-23-9-10-28-26-20(23)6-8-24(32)31-26/h1-5,7,9-10,12-13,17H,6,8,11,14H2,(H,29,30)(H,28,31,32)
InChIKeyTWJSMWXWCWQPRO-UHFFFAOYSA-N
MW456.48 g/mol
LogP5.01
Rot. Bonds4

About 5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 118948896) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is 5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID118948896
Molecular FormulaC26H21FN4O3
Molecular Weight456.48 g/mol
Exact Mass456.16
IUPAC Name5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccc(F)cc5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C26H21FN4O3/c27-18-3-1-15(2-4-18)21-13-29-25(30-21)17-11-16-12-19(5-7-22(16)33-14-17)34-23-9-10-28-26-20(23)6-8-24(32)31-26/h1-5,7,9-10,12-13,17H,6,8,11,14H2,(H,29,30)(H,28,31,32)
InChIKeyTWJSMWXWCWQPRO-UHFFFAOYSA-N
XLogP5.01
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.48
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 118948896) is 5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccc(F)cc5)[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is TWJSMWXWCWQPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3/c27-18-3-1-15(2-4-18)21-13-29-25(30-21)17-11-16-12-19(5-7-22(16)33-14-17)34-23-9-10-28-26-20(23)6-8-24(32)31-26/h1-5,7,9-10,12-13,17H,6,8,11,14H2,(H,29,30)(H,28,31,32).
What are the key properties of 5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 456.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 118948896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).