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

C20H15ClN4O — CID 157198042

IUPAC1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILES[2H]c1c([2H])c([2H])c(C(=O)Cc2cc3cc(-c4cncn4C)ncc3cn2)c(Cl)c1[2H]
InChIInChI=1S/C20H15ClN4O/c1-25-12-22-11-19(25)18-7-13-6-15(23-9-14(13)10-24-18)8-20(26)16-4-2-3-5-17(16)21/h2-7,9-12H,8H2,1H3/i2D,3D,4D,5D
InChIKeyAQLZCORKODBTBX-QFFDRWTDSA-N
MW366.84 g/mol
LogP4.11
Rot. Bonds4

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

1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 157198042) 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-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID157198042
Molecular FormulaC20H15ClN4O
Molecular Weight366.84 g/mol
Exact Mass366.12
IUPAC Name1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILES[2H]c1c([2H])c([2H])c(C(=O)Cc2cc3cc(-c4cncn4C)ncc3cn2)c(Cl)c1[2H]
InChIInChI=1S/C20H15ClN4O/c1-25-12-22-11-19(25)18-7-13-6-15(23-9-14(13)10-24-18)8-20(26)16-4-2-3-5-17(16)21/h2-7,9-12H,8H2,1H3/i2D,3D,4D,5D
InChIKeyAQLZCORKODBTBX-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)isoquinolin-3-yl]ethanone
CID 147204772
1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159169717
2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone
CID 147770865
2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 161078464
2,3,5,6-tetradeuterio-N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-4-(trideuteriomethoxy)benzamide
CID 138589992
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethanone
CID 147155826
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 149080045
(2R)-N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]oxolane-2-carboxamide
CID 138588775
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidin-1-yl)-4-pyridinyl]ethanone
CID 159225443
3-fluoro-3-methyl-1-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]butan-2-one
CID 159209064
1-[3-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 160683703
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 153087123

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (CID 157198042) is 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is [2H]c1c([2H])c([2H])c(C(=O)Cc2cc3cc(-c4cncn4C)ncc3cn2)c(Cl)c1[2H].
What is the InChIKey of 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is AQLZCORKODBTBX-QFFDRWTDSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-25-12-22-11-19(25)18-7-13-6-15(23-9-14(13)10-24-18)8-20(26)16-4-2-3-5-17(16)21/h2-7,9-12H,8H2,1H3/i2D,3D,4D,5D.
What are the key properties of 1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-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-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 157198042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).