2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide

C19H21N3O — CID 46203921

IUPAC2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
SMILES[2H]c1cc(C([2H])([2H])[2H])c([2H])n2c(CC(=O)N(C)C)c(-c3ccc(C([2H])([2H])[2H])cc3)nc12
InChIInChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3/i1D3,2D3,10D,12D
InChIKeyZAFYATHCZYHLPB-YPHJQUCYSA-N
MW315.45 g/mol
LogP3.25
Rot. Bonds5

About 2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide

2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide (PubChem CID 46203921) has the molecular formula C19H21N3O and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
PubChem CID46203921
Molecular FormulaC19H21N3O
Molecular Weight315.45 g/mol
Exact Mass315.22
IUPAC Name2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
SMILES[2H]c1cc(C([2H])([2H])[2H])c([2H])n2c(CC(=O)N(C)C)c(-c3ccc(C([2H])([2H])[2H])cc3)nc12
InChIInChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3/i1D3,2D3,10D,12D
InChIKeyZAFYATHCZYHLPB-YPHJQUCYSA-N
XLogP3.25
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-deuterio-2-(4-methylphenyl)-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 59293817
N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
CID 59023498
2,2-dideuterio-N,N-dimethyl-2-[5,7,8-trideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
CID 59023491
N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
CID 59023546
2,2-dideuterio-N,N-dimethyl-2-[5,7,8-trideuterio-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 59023472
N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
CID 59023438
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;oxalic acid
CID 175437042
2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 10319898
2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride
CID 77342331
2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide
CID 59023533
2-deuterio-N-methyl-N-(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 59023449
2,2-dideuterio-N,N-bis(trideuteriomethyl)-2-[5,7,8-trideuterio-6-methyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 59023481

Frequently Asked Questions

What is the IUPAC name of 2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide (CID 46203921) is 2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide is [2H]c1cc(C([2H])([2H])[2H])c([2H])n2c(CC(=O)N(C)C)c(-c3ccc(C([2H])([2H])[2H])cc3)nc12.
What is the InChIKey of 2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide?
The InChIKey is ZAFYATHCZYHLPB-YPHJQUCYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3/i1D3,2D3,10D,12D.
What are the key properties of 2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide?
2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide has a molecular weight of 315.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,8-dideuterio-6-(trideuteriomethyl)-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 46203921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).