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

C19H21N3O — CID 45040706

IUPAC2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])N(C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12)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/i3D3,4D3
InChIKeyZAFYATHCZYHLPB-LIJFRPJRSA-N
MW313.43 g/mol
LogP3.25
Rot. Bonds5

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

2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide (PubChem CID 45040706) has the molecular formula C19H21N3O and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide.

Molecular Properties

Compound Name2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide
PubChem CID45040706
Molecular FormulaC19H21N3O
Molecular Weight313.43 g/mol
Exact Mass313.21
IUPAC Name2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])N(C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12)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/i3D3,4D3
InChIKeyZAFYATHCZYHLPB-LIJFRPJRSA-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 ≤ 500313.43
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-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide?
The IUPAC name of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide (CID 45040706) is 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide.
What is the SMILES notation for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide?
The canonical SMILES for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide is [2H]C([2H])([2H])N(C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12)C([2H])([2H])[2H].
What is the InChIKey of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide?
The InChIKey is ZAFYATHCZYHLPB-LIJFRPJRSA-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.
What are the key properties of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide?
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide has a molecular weight of 313.43 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-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-bis(trideuteriomethyl)acetamide is sourced from PubChem (CID 45040706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).