6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide

C19H19N3O2 — CID 161394886

IUPAC6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]c1cn2c(C(=O)NCc3ccc4c(c3)CCO4)c(C([2H])([2H])[2H])nc2c([2H])c1C
InChIInChI=1S/C19H19N3O2/c1-12-5-7-22-17(9-12)21-13(2)18(22)19(23)20-11-14-3-4-16-15(10-14)6-8-24-16/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,20,23)/i2D3,5D,9D
InChIKeyDQBXSMHLMVKCEV-IDSKVENASA-N
MW326.41 g/mol
LogP2.82
Rot. Bonds4

About 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide

6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 161394886) has the molecular formula C19H19N3O2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID161394886
Molecular FormulaC19H19N3O2
Molecular Weight326.41 g/mol
Exact Mass326.18
IUPAC Name6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]c1cn2c(C(=O)NCc3ccc4c(c3)CCO4)c(C([2H])([2H])[2H])nc2c([2H])c1C
InChIInChI=1S/C19H19N3O2/c1-12-5-7-22-17(9-12)21-13(2)18(22)19(23)20-11-14-3-4-16-15(10-14)6-8-24-16/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,20,23)/i2D3,5D,9D
InChIKeyDQBXSMHLMVKCEV-IDSKVENASA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 158827780
(2H)chlorane;6,8-dideuterio-N-[dideuterio-(2,3-dideuterio-2,3-dihydro-1-benzofuran-5-yl)methyl]-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide;dideuterio-(2,3-dideuterio-2,3-dihydro-1-benzofuran-5-yl)methanamine;5-isocyano-1-benzofuran
CID 160629775
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 122563750
1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide
CID 91792056
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
N-[(3-fluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 126710537
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404

Frequently Asked Questions

What is the IUPAC name of 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 161394886) is 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide is [2H]c1cn2c(C(=O)NCc3ccc4c(c3)CCO4)c(C([2H])([2H])[2H])nc2c([2H])c1C.
What is the InChIKey of 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DQBXSMHLMVKCEV-IDSKVENASA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-5-7-22-17(9-12)21-13(2)18(22)19(23)20-11-14-3-4-16-15(10-14)6-8-24-16/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,20,23)/i2D3,5D,9D.
What are the key properties of 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 326.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 161394886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).