2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone

C22H20N4O2 — CID 159636960

IUPAC2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone
SMILES[2H]c1c([2H])c(C(=O)Cc2cc3nc(-c4cnc(C)n4C)ccc3cn2)c([2H])c([2H])c1OC
InChIInChI=1S/C22H20N4O2/c1-14-23-13-21(26(14)2)19-9-6-16-12-24-17(10-20(16)25-19)11-22(27)15-4-7-18(28-3)8-5-15/h4-10,12-13H,11H2,1-3H3/i4D,5D,7D,8D
InChIKeyMPWDMUSVKIHLBI-YBNXMSKUSA-N
MW376.45 g/mol
LogP3.77
Rot. Bonds5

About 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone

2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone (PubChem CID 159636960) has the molecular formula C22H20N4O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone
PubChem CID159636960
Molecular FormulaC22H20N4O2
Molecular Weight376.45 g/mol
Exact Mass376.18
IUPAC Name2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone
SMILES[2H]c1c([2H])c(C(=O)Cc2cc3nc(-c4cnc(C)n4C)ccc3cn2)c([2H])c([2H])c1OC
InChIInChI=1S/C22H20N4O2/c1-14-23-13-21(26(14)2)19-9-6-16-12-24-17(10-20(16)25-19)11-22(27)15-4-7-18(28-3)8-5-15/h4-10,12-13H,11H2,1-3H3/i4D,5D,7D,8D
InChIKeyMPWDMUSVKIHLBI-YBNXMSKUSA-N
XLogP3.77
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
CID 153018461
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone
CID 148639307
1-(2-chloro-3,4,5,6-tetradeuteriophenyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159169717
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 161237811
1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 157140304
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2,3,5,6-tetradeuterio-4-methylphenyl)ethanone
CID 160792121
1-cyclopropyl-2-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159856629
1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone
CID 158419194
1-(1-fluorocyclohexyl)-2-[2-(3-methylimidazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 158256787
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperazin-1-ylphenyl)ethanone
CID 152989375
1-(1,3-benzothiazol-6-yl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 160631590
2-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 147995792

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone?
The IUPAC name of 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone (CID 159636960) is 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone is [2H]c1c([2H])c(C(=O)Cc2cc3nc(-c4cnc(C)n4C)ccc3cn2)c([2H])c([2H])c1OC.
What is the InChIKey of 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone?
The InChIKey is MPWDMUSVKIHLBI-YBNXMSKUSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-23-13-21(26(14)2)19-9-6-16-12-24-17(10-20(16)25-19)11-22(27)15-4-7-18(28-3)8-5-15/h4-10,12-13H,11H2,1-3H3/i4D,5D,7D,8D.
What are the key properties of 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone?
2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone has a molecular weight of 376.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylimidazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,3,5,6-tetradeuterio-4-methoxyphenyl)ethanone is sourced from PubChem (CID 159636960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).