1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

C20H19F3N6O2 — CID 166070773

IUPAC1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2cc(OCc3c(C)nnn3-c3ccc(C(F)(F)F)nc3)ncc2C1
InChIInChI=1S/C20H19F3N6O2/c1-12-17(29(27-26-12)16-3-4-18(24-9-16)20(21,22)23)11-31-19-7-14-5-6-28(13(2)30)10-15(14)8-25-19/h3-4,7-9H,5-6,10-11H2,1-2H3
InChIKeyVHWPCRYUJQAOKP-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.87
Rot. Bonds4

About 1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (PubChem CID 166070773) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is 1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
PubChem CID166070773
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Name1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2cc(OCc3c(C)nnn3-c3ccc(C(F)(F)F)nc3)ncc2C1
InChIInChI=1S/C20H19F3N6O2/c1-12-17(29(27-26-12)16-3-4-18(24-9-16)20(21,22)23)11-31-19-7-14-5-6-28(13(2)30)10-15(14)8-25-19/h3-4,7-9H,5-6,10-11H2,1-2H3
InChIKeyVHWPCRYUJQAOKP-UHFFFAOYSA-N
XLogP2.87
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The IUPAC name of 1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (CID 166070773) is 1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.
What is the SMILES notation for 1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The canonical SMILES for 1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is CC(=O)N1CCc2cc(OCc3c(C)nnn3-c3ccc(C(F)(F)F)nc3)ncc2C1.
What is the InChIKey of 1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The InChIKey is VHWPCRYUJQAOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-12-17(29(27-26-12)16-3-4-18(24-9-16)20(21,22)23)11-31-19-7-14-5-6-28(13(2)30)10-15(14)8-25-19/h3-4,7-9H,5-6,10-11H2,1-2H3.
What are the key properties of 1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone has a molecular weight of 432.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]triazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is sourced from PubChem (CID 166070773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).