3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H21FN4O3 — CID 109068890

IUPAC3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCNC(=O)c1nc(C(=O)NCCc2ccccc2F)n2ccccc12
InChIInChI=1S/C20H21FN4O3/c1-28-13-11-23-19(26)17-16-8-4-5-12-25(16)18(24-17)20(27)22-10-9-14-6-2-3-7-15(14)21/h2-8,12H,9-11,13H2,1H3,(H,22,27)(H,23,26)
InChIKeyICMGFHGRRILEEK-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.82
Rot. Bonds8

About 3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109068890) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109068890
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCNC(=O)c1nc(C(=O)NCCc2ccccc2F)n2ccccc12
InChIInChI=1S/C20H21FN4O3/c1-28-13-11-23-19(26)17-16-8-4-5-12-25(16)18(24-17)20(27)22-10-9-14-6-2-3-7-15(14)21/h2-8,12H,9-11,13H2,1H3,(H,22,27)(H,23,26)
InChIKeyICMGFHGRRILEEK-UHFFFAOYSA-N
XLogP1.82
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069113
1-N-[(2-chlorophenyl)methyl]-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068997
1-N-(2-methoxyethyl)-3-N-(3-phenylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068900
1-N-butan-2-yl-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067644
methyl 4-[[3-(2-methoxyethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109069080
1-N-[(2-fluorophenyl)methyl]-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070474
3-N-[(2-fluorophenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070485
1-N-(4-ethoxyphenyl)-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069067
3-N-(furan-2-ylmethyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068870
N-(2-methoxyethyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647551
3-N-[2-(4-methoxyphenoxy)ethyl]-1-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066226
3-N-(4-ethylphenyl)-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068925

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109068890) is 3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is COCCNC(=O)c1nc(C(=O)NCCc2ccccc2F)n2ccccc12.
What is the InChIKey of 3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is ICMGFHGRRILEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-28-13-11-23-19(26)17-16-8-4-5-12-25(16)18(24-17)20(27)22-10-9-14-6-2-3-7-15(14)21/h2-8,12H,9-11,13H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 384.41 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-fluorophenyl)ethyl]-1-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109068890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).