3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H23FN4O2 — CID 109070825

IUPAC3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)NCCc2ccc(F)cc2)c2ccccn12
InChIInChI=1S/C21H23FN4O2/c1-3-25(4-2)21(28)19-24-18(17-7-5-6-14-26(17)19)20(27)23-13-12-15-8-10-16(22)11-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,23,27)
InChIKeySLZBBNARXNOORK-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.93
Rot. Bonds7

About 3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070825) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109070825
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1nc(C(=O)NCCc2ccc(F)cc2)c2ccccn12
InChIInChI=1S/C21H23FN4O2/c1-3-25(4-2)21(28)19-24-18(17-7-5-6-14-26(17)19)20(27)23-13-12-15-8-10-16(22)11-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,23,27)
InChIKeySLZBBNARXNOORK-UHFFFAOYSA-N
XLogP2.93
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N-diethyl-1-N-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070373
1-N-tert-butyl-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070965
3-N-benzyl-3-N-ethyl-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070565
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070305
3-N,3-N-diethyl-1-N-(2-ethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070989
1-N-tert-butyl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070790
1-N-[2-(dimethylamino)ethyl]-3-N-(4-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069629
1-N-butan-2-yl-3-N-(2-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067673
methyl 4-[[3-(diethylcarbamoyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109071028
1-N,1-N-diethyl-3-N-(3-fluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070950
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067421
3-N-[2-(4-methoxyphenyl)ethyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066843

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070825) is 3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCN(CC)C(=O)c1nc(C(=O)NCCc2ccc(F)cc2)c2ccccn12.
What is the InChIKey of 3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is SLZBBNARXNOORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-3-25(4-2)21(28)19-24-18(17-7-5-6-14-26(17)19)20(27)23-13-12-15-8-10-16(22)11-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,23,27).
What are the key properties of 3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).