1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone

C20H15ClN4O — CID 159169717

IUPAC1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
SMILES[2H]c1c([2H])c([2H])c(C(=O)Cc2cc3nc(-c4cncn4C)ccc3cn2)c(Cl)c1[2H]
InChIInChI=1S/C20H15ClN4O/c1-25-12-22-11-19(25)17-7-6-13-10-23-14(8-18(13)24-17)9-20(26)15-4-2-3-5-16(15)21/h2-8,10-12H,9H2,1H3/i2D,3D,4D,5D
InChIKeyKLNJEOOKNXITGT-QFFDRWTDSA-N
MW366.84 g/mol
LogP4.11
Rot. Bonds4

About 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone

1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone (PubChem CID 159169717) has the molecular formula C20H15ClN4O and a molecular weight of 366.84 g/mol. Its IUPAC name is 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
PubChem CID159169717
Molecular FormulaC20H15ClN4O
Molecular Weight366.84 g/mol
Exact Mass366.12
IUPAC Name1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
SMILES[2H]c1c([2H])c([2H])c(C(=O)Cc2cc3nc(-c4cncn4C)ccc3cn2)c(Cl)c1[2H]
InChIInChI=1S/C20H15ClN4O/c1-25-12-22-11-19(25)17-7-6-13-10-23-14(8-18(13)24-17)9-20(26)15-4-2-3-5-16(15)21/h2-8,10-12H,9H2,1H3/i2D,3D,4D,5D
InChIKeyKLNJEOOKNXITGT-QFFDRWTDSA-N
XLogP4.11
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 157198042
1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 147204772
1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 158256787
2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone
CID 159636960
2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone
CID 147770865
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2,3,5,6-tetradeuterio-4-methylphenyl)ethanone
CID 160792121
2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 161078464
1-(4-fluoro-1-methylpiperidin-4-yl)-2-(2-pyrazin-2-yl-1,6-naphthyridin-7-yl)ethanone
CID 161345382
1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 162264664
1-(4-methylpiperazin-1-yl)-3-(2-pyridin-3-yl-1,6-naphthyridin-7-yl)propan-2-one
CID 162101609
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone
CID 160792119
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 162233590

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The IUPAC name of 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone (CID 159169717) is 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone.
What is the SMILES notation for 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The canonical SMILES for 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone is [2H]c1c([2H])c([2H])c(C(=O)Cc2cc3nc(-c4cncn4C)ccc3cn2)c(Cl)c1[2H].
What is the InChIKey of 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
The InChIKey is KLNJEOOKNXITGT-QFFDRWTDSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-25-12-22-11-19(25)17-7-6-13-10-23-14(8-18(13)24-17)9-20(26)15-4-2-3-5-16(15)21/h2-8,10-12H,9H2,1H3/i2D,3D,4D,5D.
What are the key properties of 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone?
1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone has a molecular weight of 366.84 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone is sourced from PubChem (CID 159169717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).