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

C19H21N3O — CID 59023481

IUPAC2,2-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
SMILES[2H]c1c([2H])c(-c2nc3c([2H])c([2H])c(C)c([2H])n3c2C([2H])([2H])C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1C
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/i3D3,4D3,5D,6D,7D,8D,9D,10D,11D2,12D
InChIKeyZAFYATHCZYHLPB-YCYZLCDPSA-N
MW322.49 g/mol
LogP3.25
Rot. Bonds5

About 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

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 (PubChem CID 59023481) has the molecular formula C19H21N3O and a molecular weight of 322.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2-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
PubChem CID59023481
Molecular FormulaC19H21N3O
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name2,2-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
SMILES[2H]c1c([2H])c(-c2nc3c([2H])c([2H])c(C)c([2H])n3c2C([2H])([2H])C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1C
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/i3D3,4D3,5D,6D,7D,8D,9D,10D,11D2,12D
InChIKeyZAFYATHCZYHLPB-YCYZLCDPSA-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 ≤ 500322.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c(-c2nc3c([2H])c([2H])c(C)c([2H])n3c2C([2H])([2H])C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c1C.
What is the InChIKey of 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?
The InChIKey is ZAFYATHCZYHLPB-YCYZLCDPSA-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/i3D3,4D3,5D,6D,7D,8D,9D,10D,11D2,12D.
What are the key properties of 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?
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 has a molecular weight of 322.49 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 2,2-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 is sourced from PubChem (CID 59023481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).