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

C20H20F2N6O2 — CID 166070772

IUPAC1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2cc(OCc3c(C)nnn3-c3ccc(C(F)F)nc3)ncc2C1
InChIInChI=1S/C20H20F2N6O2/c1-12-18(28(26-25-12)16-3-4-17(20(21)22)23-9-16)11-30-19-7-14-5-6-27(13(2)29)10-15(14)8-24-19/h3-4,7-9,20H,5-6,10-11H2,1-2H3
InChIKeyKRZSRPMIXDFNCI-UHFFFAOYSA-N
MW414.42 g/mol
LogP2.79
Rot. Bonds5

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

1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (PubChem CID 166070772) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
PubChem CID166070772
Molecular FormulaC20H20F2N6O2
Molecular Weight414.42 g/mol
Exact Mass414.16
IUPAC Name1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2cc(OCc3c(C)nnn3-c3ccc(C(F)F)nc3)ncc2C1
InChIInChI=1S/C20H20F2N6O2/c1-12-18(28(26-25-12)16-3-4-17(20(21)22)23-9-16)11-30-19-7-14-5-6-27(13(2)29)10-15(14)8-24-19/h3-4,7-9,20H,5-6,10-11H2,1-2H3
InChIKeyKRZSRPMIXDFNCI-UHFFFAOYSA-N
XLogP2.79
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The IUPAC name of 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (CID 166070772) is 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.
What is the SMILES notation for 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The canonical SMILES for 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is CC(=O)N1CCc2cc(OCc3c(C)nnn3-c3ccc(C(F)F)nc3)ncc2C1.
What is the InChIKey of 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The InChIKey is KRZSRPMIXDFNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c1-12-18(28(26-25-12)16-3-4-17(20(21)22)23-9-16)11-30-19-7-14-5-6-27(13(2)29)10-15(14)8-24-19/h3-4,7-9,20H,5-6,10-11H2,1-2H3.
What are the key properties of 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone has a molecular weight of 414.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-[6-(difluoromethyl)-3-pyridinyl]-5-methyltriazol-4-yl]methoxy]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is sourced from PubChem (CID 166070772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).