2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone

C21H18N4O — CID 147770865

IUPAC2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone
SMILES[2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1C(=O)Cc1cc2cc(-c3cncn3C)ncc2cn1
InChIInChI=1S/C21H18N4O/c1-14-3-5-15(6-4-14)21(26)9-18-7-16-8-19(20-12-22-13-25(20)2)24-11-17(16)10-23-18/h3-8,10-13H,9H2,1-2H3/i1D3,3D,4D,5D,6D
InChIKeyHFWZHFDHJYKOAL-HRDWIZOWSA-N
MW349.44 g/mol
LogP3.76
Rot. Bonds5

About 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone

2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone (PubChem CID 147770865) has the molecular formula C21H18N4O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone
PubChem CID147770865
Molecular FormulaC21H18N4O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone
SMILES[2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1C(=O)Cc1cc2cc(-c3cncn3C)ncc2cn1
InChIInChI=1S/C21H18N4O/c1-14-3-5-15(6-4-14)21(26)9-18-7-16-8-19(20-12-22-13-25(20)2)24-11-17(16)10-23-18/h3-8,10-13H,9H2,1-2H3/i1D3,3D,4D,5D,6D
InChIKeyHFWZHFDHJYKOAL-HRDWIZOWSA-N
XLogP3.76
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 161078464
1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 157198042
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone
CID 160792119
2,3,5,6-tetradeuterio-N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-4-(trideuteriomethoxy)benzamide
CID 138589992
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)isoquinolin-3-yl]-1-[3-(pyrrolidin-1-ylmethyl)phenyl]ethanone
CID 147155826
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)isoquinolin-3-yl]-1-[2-(2,2,3,3,4,5,5,6,6-nonadeuterio-4-methylpiperidin-1-yl)-4-pyridinyl]ethanone
CID 159225443
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-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147352426

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone?
The IUPAC name of 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone (CID 147770865) is 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone.
What is the SMILES notation for 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone?
The canonical SMILES for 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone is [2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1C(=O)Cc1cc2cc(-c3cncn3C)ncc2cn1.
What is the InChIKey of 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone?
The InChIKey is HFWZHFDHJYKOAL-HRDWIZOWSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-3-5-15(6-4-14)21(26)9-18-7-16-8-19(20-12-22-13-25(20)2)24-11-17(16)10-23-18/h3-8,10-13H,9H2,1-2H3/i1D3,3D,4D,5D,6D.
What are the key properties of 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone?
2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone has a molecular weight of 349.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]ethanone is sourced from PubChem (CID 147770865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).