1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone

C18H12ClF7N2O2 — CID 174349923

IUPAC1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCc2cc(C(F)(F)F)c(OCc3ccc(Cl)cc3F)nc2C1)C(F)(F)F
InChIInChI=1S/C18H12ClF7N2O2/c19-11-2-1-10(13(20)6-11)8-30-15-12(17(21,22)23)5-9-3-4-28(7-14(9)27-15)16(29)18(24,25)26/h1-2,5-6H,3-4,7-8H2
InChIKeySWEKBFNQXXCMMW-UHFFFAOYSA-N
MW456.75 g/mol
LogP4.92
Rot. Bonds3

About 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone

1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone (PubChem CID 174349923) has the molecular formula C18H12ClF7N2O2 and a molecular weight of 456.75 g/mol. Its IUPAC name is 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone
PubChem CID174349923
Molecular FormulaC18H12ClF7N2O2
Molecular Weight456.75 g/mol
Exact Mass456.05
IUPAC Name1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCc2cc(C(F)(F)F)c(OCc3ccc(Cl)cc3F)nc2C1)C(F)(F)F
InChIInChI=1S/C18H12ClF7N2O2/c19-11-2-1-10(13(20)6-11)8-30-15-12(17(21,22)23)5-9-3-4-28(7-14(9)27-15)16(29)18(24,25)26/h1-2,5-6H,3-4,7-8H2
InChIKeySWEKBFNQXXCMMW-UHFFFAOYSA-N
XLogP4.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.75
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

1-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-5-methylpyridazin-3-yl]-N-methylethanimine
CID 177260139
[[2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carbonyl]amino]thiourea
CID 175953083
3-[2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridin-6-yl]-1H-1,2,4-triazole-5-carboxylic acid
CID 175953125
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 171743165
3-[2-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]benzimidazol-5-yl]-4H-1,2,4-oxadiazol-5-one
CID 175953183
N-[2-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-(hydroxymethyl)-5-(trifluoromethyl)-3-pyridinyl]ethyl]-2,2,2-trifluoroacetamide
CID 174349922
2-[(4-chloro-2-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxetan-2-yl]methyl]-6-(2H-tetrazol-5-yl)imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
CID 175953143
3-[6-[[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175953173
2-[[(8S)-2-[(4-chloro-2-fluorophenyl)methoxy]-8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 171743410
2-[(4-chloro-2-fluorophenyl)methoxy]-7-[[3-[[(2S)-oxolan-2-yl]methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-c]pyridin-2-yl]methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine
CID 175953071
3-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 176551263
2-[[2-[(4-chloro-2-methoxyphenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]methyl]-7-methoxy-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 171743305

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone (CID 174349923) is 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone is O=C(N1CCc2cc(C(F)(F)F)c(OCc3ccc(Cl)cc3F)nc2C1)C(F)(F)F.
What is the InChIKey of 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone?
The InChIKey is SWEKBFNQXXCMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF7N2O2/c19-11-2-1-10(13(20)6-11)8-30-15-12(17(21,22)23)5-9-3-4-28(7-14(9)27-15)16(29)18(24,25)26/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone?
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone has a molecular weight of 456.75 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 174349923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).