3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H24N4O4 — CID 109066226

IUPAC3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)c2nc(C(=O)NC(C)C)c3ccccn23)cc1
InChIInChI=1S/C21H24N4O4/c1-14(2)23-20(26)18-17-6-4-5-12-25(17)19(24-18)21(27)22-11-13-29-16-9-7-15(28-3)8-10-16/h4-10,12,14H,11,13H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyQEJABSADFSGOLE-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.29
Rot. Bonds8

About 3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109066226) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109066226
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)c2nc(C(=O)NC(C)C)c3ccccn23)cc1
InChIInChI=1S/C21H24N4O4/c1-14(2)23-20(26)18-17-6-4-5-12-25(17)19(24-18)21(27)22-11-13-29-16-9-7-15(28-3)8-10-16/h4-10,12,14H,11,13H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyQEJABSADFSGOLE-UHFFFAOYSA-N
XLogP2.29
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(4-methoxyphenoxy)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066382
1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067644
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067421
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066366
1-N-(4-ethoxyphenyl)-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069067
3-N-(4-methoxyphenyl)-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067477
3-N-(4-methoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065963
1-N-butan-2-yl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067678
3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068890
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067549
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066843
1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109066226) is 3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide is COc1ccc(OCCNC(=O)c2nc(C(=O)NC(C)C)c3ccccn23)cc1.
What is the InChIKey of 3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is QEJABSADFSGOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-14(2)23-20(26)18-17-6-4-5-12-25(17)19(24-18)21(27)22-11-13-29-16-9-7-15(28-3)8-10-16/h4-10,12,14H,11,13H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of 3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109066226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).