N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide

C19H21N3O — CID 59023438

IUPACN-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
SMILES[2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1-c1nc2ccc(C([2H])([2H])[2H])cn2c1CC(=O)N(C)C([2H])([2H])[2H]
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/i1D3,2D3,3D3,5D,6D,8D,9D
InChIKeyZAFYATHCZYHLPB-MRGPVCGHSA-N
MW320.48 g/mol
LogP3.25
Rot. Bonds6

About N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide

N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide (PubChem CID 59023438) has the molecular formula C19H21N3O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
PubChem CID59023438
Molecular FormulaC19H21N3O
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
SMILES[2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1-c1nc2ccc(C([2H])([2H])[2H])cn2c1CC(=O)N(C)C([2H])([2H])[2H]
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/i1D3,2D3,3D3,5D,6D,8D,9D
InChIKeyZAFYATHCZYHLPB-MRGPVCGHSA-N
XLogP3.25
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide?
The IUPAC name of 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) is N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide.
What is the SMILES notation for N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide?
The canonical SMILES for N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide is [2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1-c1nc2ccc(C([2H])([2H])[2H])cn2c1CC(=O)N(C)C([2H])([2H])[2H].
What is the InChIKey of N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide?
The InChIKey is ZAFYATHCZYHLPB-MRGPVCGHSA-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/i1D3,2D3,3D3,5D,6D,8D,9D.
What are the key properties of N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide?
N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide has a molecular weight of 320.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide is sourced from PubChem (CID 59023438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).