5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C19H19N3O2 — CID 158827780

IUPAC5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]c1c(C)c([2H])c2nc(C)c(C(=O)NCc3ccc4c(c3)CCO4)n2c1[2H]
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)/i5D,7D,9D
InChIKeyDQBXSMHLMVKCEV-RLJYPSSVSA-N
MW324.40 g/mol
LogP2.82
Rot. Bonds3

About 5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 158827780) has the molecular formula C19H19N3O2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID158827780
Molecular FormulaC19H19N3O2
Molecular Weight324.40 g/mol
Exact Mass324.17
IUPAC Name5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILES[2H]c1c(C)c([2H])c2nc(C)c(C(=O)NCc3ccc4c(c3)CCO4)n2c1[2H]
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)/i5D,7D,9D
InChIKeyDQBXSMHLMVKCEV-RLJYPSSVSA-N
XLogP2.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,8-dideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-7-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 161394886
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
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-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
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
3-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787066
3-acetamido-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110795014
N-[(3-fluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 126710537

Frequently Asked Questions

What is the IUPAC name of 5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 158827780) is 5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is [2H]c1c(C)c([2H])c2nc(C)c(C(=O)NCc3ccc4c(c3)CCO4)n2c1[2H].
What is the InChIKey of 5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DQBXSMHLMVKCEV-RLJYPSSVSA-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)/i5D,7D,9D.
What are the key properties of 5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trideuterio-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 158827780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).