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

C19H21N3O — CID 59023533

IUPAC2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide
SMILES[2H]C(C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H])c1c(-c2ccc(C([2H])([2H])[2H])cc2)nc2ccc(C)cn12
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/i1D3,3D3,4D3,11D
InChIKeyZAFYATHCZYHLPB-LFAKZELMSA-N
MW317.46 g/mol
LogP3.25
Rot. Bonds6

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

2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide (PubChem CID 59023533) has the molecular formula C19H21N3O and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide.

Molecular Properties

Compound Name2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide
PubChem CID59023533
Molecular FormulaC19H21N3O
Molecular Weight317.46 g/mol
Exact Mass317.23
IUPAC Name2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide
SMILES[2H]C(C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H])c1c(-c2ccc(C([2H])([2H])[2H])cc2)nc2ccc(C)cn12
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/i1D3,3D3,4D3,11D
InChIKeyZAFYATHCZYHLPB-LFAKZELMSA-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 ≤ 500317.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(trideuteriomethyl)acetamide
CID 59023546
2,2-dideuterio-2-[6-methyl-2-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide
CID 59023442
N,N-dimethyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 13267864
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;oxalic acid
CID 175437042
2-[5-deuterio-2-(4-methylphenyl)-6-(trideuteriomethyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 59293817
[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl propanoate
CID 10518882
2-[2-(4-iodophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide
CID 10319898
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
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
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
ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide?
The IUPAC name of 2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide (CID 59023533) is 2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide.
What is the SMILES notation for 2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide?
The canonical SMILES for 2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide is [2H]C(C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H])c1c(-c2ccc(C([2H])([2H])[2H])cc2)nc2ccc(C)cn12.
What is the InChIKey of 2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide?
The InChIKey is ZAFYATHCZYHLPB-LFAKZELMSA-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/i1D3,3D3,4D3,11D.
What are the key properties of 2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide?
2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide has a molecular weight of 317.46 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 2-deuterio-2-[6-methyl-2-[4-(trideuteriomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide is sourced from PubChem (CID 59023533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).