1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one

C21H22FN5O2 — CID 146469043

IUPAC1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
SMILESCCC(=O)N1CCc2nc(OCc3c(C)nnn3-c3ccc(F)cc3)ccc2C1
InChIInChI=1S/C21H22FN5O2/c1-3-21(28)26-11-10-18-15(12-26)4-9-20(23-18)29-13-19-14(2)24-25-27(19)17-7-5-16(22)6-8-17/h4-9H,3,10-13H2,1-2H3
InChIKeyTWPMNPAALDJMPK-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one

1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one (PubChem CID 146469043) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
PubChem CID146469043
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
SMILESCCC(=O)N1CCc2nc(OCc3c(C)nnn3-c3ccc(F)cc3)ccc2C1
InChIInChI=1S/C21H22FN5O2/c1-3-21(28)26-11-10-18-15(12-26)4-9-20(23-18)29-13-19-14(2)24-25-27(19)17-7-5-16(22)6-8-17/h4-9H,3,10-13H2,1-2H3
InChIKeyTWPMNPAALDJMPK-UHFFFAOYSA-N
XLogP2.98
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The IUPAC name of 1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one (CID 146469043) is 1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one.
What is the SMILES notation for 1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The canonical SMILES for 1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one is CCC(=O)N1CCc2nc(OCc3c(C)nnn3-c3ccc(F)cc3)ccc2C1.
What is the InChIKey of 1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The InChIKey is TWPMNPAALDJMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-3-21(28)26-11-10-18-15(12-26)4-9-20(23-18)29-13-19-14(2)24-25-27(19)17-7-5-16(22)6-8-17/h4-9H,3,10-13H2,1-2H3.
What are the key properties of 1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one has a molecular weight of 395.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one is sourced from PubChem (CID 146469043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).